(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide

C8H15N3O3 — CID 138691369

IUPAC(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O3/c1-3-7(13)11-5(2)8(14)10-4-6(9)12/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,14)(H,11,13)/t5-/m0/s1
InChIKeyKKHVZHKFEZZQLT-YFKPBYRVSA-N
MW201.23 g/mol
LogP-1.50
Rot. Bonds5

About (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide

(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide (PubChem CID 138691369) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
PubChem CID138691369
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@@H](C)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O3/c1-3-7(13)11-5(2)8(14)10-4-6(9)12/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,14)(H,11,13)/t5-/m0/s1
InChIKeyKKHVZHKFEZZQLT-YFKPBYRVSA-N
XLogP-1.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]propanamide
CID 10464584
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
CID 142118598
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide
CID 142971518
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 22099199
2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
CID 20833007
(5S)-4-oxo-5-(propanoylamino)hexanamide
CID 126731889
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide (CID 138691369) is (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide is CCC(=O)N[C@@H](C)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide?
The InChIKey is KKHVZHKFEZZQLT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-3-7(13)11-5(2)8(14)10-4-6(9)12/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,14)(H,11,13)/t5-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide?
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide has a molecular weight of 201.23 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide is sourced from PubChem (CID 138691369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).