(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid

C18H29N3O6 — CID 67608123

IUPAC(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4.C6H13NO2/c13-9(6-8-4-2-1-3-5-8)12(17)18-7-10(14)11(15)16;1-4(2)3-5(7)6(8)9/h1-5,9-10H,6-7,13-14H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t9-,10-;5-/m00/s1
InChIKeyOPZAPWPARZXSON-BUNOYPORSA-N
MW383.45 g/mol
LogP-0.04
Rot. Bonds9

About (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid

(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid (PubChem CID 67608123) has the molecular formula C18H29N3O6 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid
PubChem CID67608123
Molecular FormulaC18H29N3O6
Molecular Weight383.45 g/mol
Exact Mass383.21
IUPAC Name(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4.C6H13NO2/c13-9(6-8-4-2-1-3-5-8)12(17)18-7-10(14)11(15)16;1-4(2)3-5(7)6(8)9/h1-5,9-10H,6-7,13-14H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t9-,10-;5-/m00/s1
InChIKeyOPZAPWPARZXSON-BUNOYPORSA-N
XLogP-0.04
TPSA178.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid with MolForge

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Related Compounds

2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
3-amino-5-methylhexan-2-one;3-methyl-4-phenylbutan-2-one
CID 161370399
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 67055229
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
CID 114208438
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid;2,4-diamino-4-oxobutanoic acid
CID 174159961
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid (CID 67608123) is (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid is CC(C)C[C@H](N)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The InChIKey is OPZAPWPARZXSON-BUNOYPORSA-N. The full InChI is InChI=1S/C12H16N2O4.C6H13NO2/c13-9(6-8-4-2-1-3-5-8)12(17)18-7-10(14)11(15)16;1-4(2)3-5(7)6(8)9/h1-5,9-10H,6-7,13-14H2,(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t9-,10-;5-/m00/s1.
What are the key properties of (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid?
(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid has a molecular weight of 383.45 g/mol, XLogP of -0.04, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid is sourced from PubChem (CID 67608123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).