(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide

C6H13N3O2 — CID 78972368

IUPAC(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)[C@@H](C)N)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4?/m1/s1
InChIKeyDFQJATWYPJPAEU-SYPWQXSBSA-N
MW159.19 g/mol
LogP-1.68
Rot. Bonds3

About (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide

(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide (PubChem CID 78972368) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
PubChem CID78972368
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)[C@@H](C)N)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4?/m1/s1
InChIKeyDFQJATWYPJPAEU-SYPWQXSBSA-N
XLogP-1.68
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
CID 76893601
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide (CID 78972368) is (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide is CC(NC(=O)[C@@H](C)N)C(N)=O.
What is the InChIKey of (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The InChIKey is DFQJATWYPJPAEU-SYPWQXSBSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide?
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide has a molecular weight of 159.19 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide is sourced from PubChem (CID 78972368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).