(3S)-3-aminopyrrolidine-1-carboxamide

C5H11N3O — CID 59841091

IUPAC(3S)-3-aminopyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C5H11N3O/c6-4-1-2-8(3-4)5(7)9/h4H,1-3,6H2,(H2,7,9)/t4-/m0/s1
InChIKeyOCDRJDSKYRJZEI-BYPYZUCNSA-N
MW129.16 g/mol
LogP-0.90
Rot. Bonds

About (3S)-3-aminopyrrolidine-1-carboxamide

(3S)-3-aminopyrrolidine-1-carboxamide (PubChem CID 59841091) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S)-3-aminopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-aminopyrrolidine-1-carboxamide
PubChem CID59841091
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name(3S)-3-aminopyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C5H11N3O/c6-4-1-2-8(3-4)5(7)9/h4H,1-3,6H2,(H2,7,9)/t4-/m0/s1
InChIKeyOCDRJDSKYRJZEI-BYPYZUCNSA-N
XLogP-0.90
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-difluoroethanone
CID 103514259
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 89453120
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid
CID 163494265
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-aminopyrrolidine-1-carboxamide (CID 59841091) is (3S)-3-aminopyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-aminopyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-aminopyrrolidine-1-carboxamide is NC(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-3-aminopyrrolidine-1-carboxamide?
The InChIKey is OCDRJDSKYRJZEI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N3O/c6-4-1-2-8(3-4)5(7)9/h4H,1-3,6H2,(H2,7,9)/t4-/m0/s1.
What are the key properties of (3S)-3-aminopyrrolidine-1-carboxamide?
(3S)-3-aminopyrrolidine-1-carboxamide has a molecular weight of 129.16 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopyrrolidine-1-carboxamide is sourced from PubChem (CID 59841091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).