(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid

C47H55N5O8 — CID 174923553

IUPAC(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)N[C@@H](Cc1ccccc1)C(=O)O.NN[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O.N[C@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/2C13H13NO2.C12H17NO2.C9H12N2O2/c2*14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9(2)13-11(12(14)15)8-10-6-4-3-5-7-10;10-11-8(9(12)13)6-7-4-2-1-3-5-7/h2*1-7,12H,8,14H2,(H,15,16);3-7,9,11,13H,8H2,1-2H3,(H,14,15);1-5,8,11H,6,10H2,(H,12,13)/t2*12-;11-;8-/m1000/s1
InChIKeyMYLZBZWKGPDJDI-XHFMDZSVSA-N
MW817.98 g/mol
LogP5.41
Rot. Bonds15

About (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid

(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid (PubChem CID 174923553) has the molecular formula C47H55N5O8 and a molecular weight of 817.98 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid
PubChem CID174923553
Molecular FormulaC47H55N5O8
Molecular Weight817.98 g/mol
Exact Mass817.41
IUPAC Name(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)N[C@@H](Cc1ccccc1)C(=O)O.NN[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O.N[C@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/2C13H13NO2.C12H17NO2.C9H12N2O2/c2*14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9(2)13-11(12(14)15)8-10-6-4-3-5-7-10;10-11-8(9(12)13)6-7-4-2-1-3-5-7/h2*1-7,12H,8,14H2,(H,15,16);3-7,9,11,13H,8H2,1-2H3,(H,14,15);1-5,8,11H,6,10H2,(H,12,13)/t2*12-;11-;8-/m1000/s1
InChIKeyMYLZBZWKGPDJDI-XHFMDZSVSA-N
XLogP5.41
TPSA251.32 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.98
LogP ≤ 55.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid with MolForge

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Related Compounds

(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
3-[4-(aminomethyl)phenyl]-2-(propan-2-ylamino)propanoic acid
CID 22480525
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
CID 161034514
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid (CID 174923553) is (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid is CC(C)N[C@@H](Cc1ccccc1)C(=O)O.NN[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O.N[C@H](Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid?
The InChIKey is MYLZBZWKGPDJDI-XHFMDZSVSA-N. The full InChI is InChI=1S/2C13H13NO2.C12H17NO2.C9H12N2O2/c2*14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-9(2)13-11(12(14)15)8-10-6-4-3-5-7-10;10-11-8(9(12)13)6-7-4-2-1-3-5-7/h2*1-7,12H,8,14H2,(H,15,16);3-7,9,11,13H,8H2,1-2H3,(H,14,15);1-5,8,11H,6,10H2,(H,12,13)/t2*12-;11-;8-/m1000/s1.
What are the key properties of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid?
(2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid has a molecular weight of 817.98 g/mol, XLogP of 5.41, 15 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid;(2R)-2-amino-3-naphthalen-1-ylpropanoic acid;(2S)-2-hydrazinyl-3-phenylpropanoic acid;(2S)-3-phenyl-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 174923553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).