(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid

C14H19N3O3 — CID 166506978

IUPAC(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
SMILESN[C@@H](CNC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)O
InChIInChI=1S/C14H19N3O3/c15-12(13(18)19)8-16-14(20)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11-12H,5-8,15H2,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyVRORUGBIEOHDSP-NEPJUHHUSA-N
MW277.32 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid

(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid (PubChem CID 166506978) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
PubChem CID166506978
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
SMILESN[C@@H](CNC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)O
InChIInChI=1S/C14H19N3O3/c15-12(13(18)19)8-16-14(20)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11-12H,5-8,15H2,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyVRORUGBIEOHDSP-NEPJUHHUSA-N
XLogP0.25
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107827485
2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 81089612
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
2-(aminomethyl)-4,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 107472031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid (CID 166506978) is (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid is N[C@@H](CNC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid?
The InChIKey is VRORUGBIEOHDSP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12(13(18)19)8-16-14(20)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11-12H,5-8,15H2,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid?
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 166506978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).