2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide

C12H17N3O2 — CID 120587567

IUPAC2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)c1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(10(13)16)15-11(17)12(2,14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H2,13,16)(H,15,17)/t8-,12?/m0/s1
InChIKeyGKDMDWYEARGOSL-KBPLZSHQSA-N
MW235.29 g/mol
LogP-0.15
Rot. Bonds4

About 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide

2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide (PubChem CID 120587567) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
PubChem CID120587567
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
SMILESC[C@H](NC(=O)C(C)(N)c1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(10(13)16)15-11(17)12(2,14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H2,13,16)(H,15,17)/t8-,12?/m0/s1
InChIKeyGKDMDWYEARGOSL-KBPLZSHQSA-N
XLogP-0.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.15
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
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-(1-cyclopropylethyl)-2-phenylpropanamide
CID 55078586
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
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)-2-phenylpropanamide
CID 62487540
2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
CID 64642432

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide (CID 120587567) is 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide is C[C@H](NC(=O)C(C)(N)c1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide?
The InChIKey is GKDMDWYEARGOSL-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(10(13)16)15-11(17)12(2,14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H2,13,16)(H,15,17)/t8-,12?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide?
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 120587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).