(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid

C12H16N2O3 — CID 78991003

IUPAC(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(10(15)16)14-11(17)12(2,13)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,17)(H,15,16)/t8-,12?/m0/s1
InChIKeyKFOMOSYTGRVNCQ-KBPLZSHQSA-N
MW236.27 g/mol
LogP0.45
Rot. Bonds4

About (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid

(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid (PubChem CID 78991003) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
PubChem CID78991003
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8(10(15)16)14-11(17)12(2,13)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,17)(H,15,16)/t8-,12?/m0/s1
InChIKeyKFOMOSYTGRVNCQ-KBPLZSHQSA-N
XLogP0.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-(1-cyclopropylethyl)-2-phenylpropanamide
CID 55078586
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696206
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid (CID 78991003) is (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid is C[C@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid?
The InChIKey is KFOMOSYTGRVNCQ-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(10(15)16)14-11(17)12(2,13)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,17)(H,15,16)/t8-,12?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid?
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 78991003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).