(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide

C9H16N4O3 — CID 167203166

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
SMILESNCC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O
InChIInChI=1S/C9H16N4O3/c10-4-7(14)13-6(8(11)15)3-5-1-2-12-9(5)16/h5-6H,1-4,10H2,(H2,11,15)(H,12,16)(H,13,14)/t5-,6-/m0/s1
InChIKeyASJKOXFBOKFPJO-WDSKDSINSA-N
MW228.25 g/mol
LogP-2.56
Rot. Bonds5

About (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide

(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 167203166) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
PubChem CID167203166
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
SMILESNCC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O
InChIInChI=1S/C9H16N4O3/c10-4-7(14)13-6(8(11)15)3-5-1-2-12-9(5)16/h5-6H,1-4,10H2,(H2,11,15)(H,12,16)(H,13,14)/t5-,6-/m0/s1
InChIKeyASJKOXFBOKFPJO-WDSKDSINSA-N
XLogP-2.56
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide
CID 166840656
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methylpentanamide;methanesulfonic acid
CID 175731532
(1R,2S,3S,6R,7S)-N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 175840772
N-[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-cyclopropyl-2-[3-(3,5-difluorophenyl)propanoylamino]propanamide
CID 175458580
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
N-[(2S)-1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-3-cyclohexyl-2-[3-(3,5-difluorophenyl)propanoylamino]propanamide
CID 171530231
tert-butyl (2S,4R)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 164701803
[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamic acid
CID 166744904
(4,4-difluorocyclohexyl) N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 169081621
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
CID 155736218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide (CID 167203166) is (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide is NCC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is ASJKOXFBOKFPJO-WDSKDSINSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-4-7(14)13-6(8(11)15)3-5-1-2-12-9(5)16/h5-6H,1-4,10H2,(H2,11,15)(H,12,16)(H,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
(2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 228.25 g/mol, XLogP of -2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 167203166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).