(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

C8H15N3O2 — CID 61155752

IUPAC(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C8H15N3O2/c1-5(7(9)12)11-8(13)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13)/t5?,6-/m0/s1
InChIKeyIYQUPRCVZSGJGW-GDVGLLTNSA-N
MW185.23 g/mol
LogP-1.27
Rot. Bonds3

About (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61155752) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID61155752
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C8H15N3O2/c1-5(7(9)12)11-8(13)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13)/t5?,6-/m0/s1
InChIKeyIYQUPRCVZSGJGW-GDVGLLTNSA-N
XLogP-1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 113235709
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
4-amino-4-oxo-2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]butanoic acid
CID 18223420
(2S)-4-amino-4-oxo-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoic acid
CID 145457370
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (CID 61155752) is (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCN1)C(N)=O.
What is the InChIKey of (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is IYQUPRCVZSGJGW-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(7(9)12)11-8(13)6-3-2-4-10-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13)/t5?,6-/m0/s1.
What are the key properties of (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61155752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).