(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide

C11H15N3O2 — CID 119276132

IUPAC(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
SMILESC[C@H](N)C(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-7(12)11(16)14-9(10(13)15)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H2,13,15)(H,14,16)/t7-,9?/m0/s1
InChIKeyLRYFKODJRBBJAO-JAVCKPHESA-N
MW221.26 g/mol
LogP-0.32
Rot. Bonds4

About (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide

(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide (PubChem CID 119276132) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
PubChem CID119276132
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
SMILESC[C@H](N)C(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-7(12)11(16)14-9(10(13)15)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H2,13,15)(H,14,16)/t7-,9?/m0/s1
InChIKeyLRYFKODJRBBJAO-JAVCKPHESA-N
XLogP-0.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
2-[[(2S)-2-(deuterioamino)propanoyl]amino]-2-phenylacetic acid
CID 142690110
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
2-(chloroamino)-2-phenylacetamide
CID 89152727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide (CID 119276132) is (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide is C[C@H](N)C(=O)NC(C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide?
The InChIKey is LRYFKODJRBBJAO-JAVCKPHESA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(12)11(16)14-9(10(13)15)8-5-3-2-4-6-8/h2-7,9H,12H2,1H3,(H2,13,15)(H,14,16)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide?
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide has a molecular weight of 221.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide is sourced from PubChem (CID 119276132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).