(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride

C5H11ClN2O2 — CID 173100339

IUPAC(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C5H10N2O2.ClH/c6-5(9)7-2-1-4(8)3-7;/h4,8H,1-3H2,(H2,6,9);1H/t4-;/m0./s1
InChIKeyFNJSQBSLTMFTEY-WCCKRBBISA-N
MW166.61 g/mol
LogP-0.45
Rot. Bonds

About (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride

(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride (PubChem CID 173100339) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
PubChem CID173100339
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C5H10N2O2.ClH/c6-5(9)7-2-1-4(8)3-7;/h4,8H,1-3H2,(H2,6,9);1H/t4-;/m0./s1
InChIKeyFNJSQBSLTMFTEY-WCCKRBBISA-N
XLogP-0.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
4-hydroxypiperidine-1-carboxamide;piperidin-4-ol
CID 158744315
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
S-methyl 3-hydroxypyrrolidine-1-carbothioate
CID 91263437
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride (CID 173100339) is (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride is Cl.NC(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is FNJSQBSLTMFTEY-WCCKRBBISA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c6-5(9)7-2-1-4(8)3-7;/h4,8H,1-3H2,(H2,6,9);1H/t4-;/m0./s1.
What are the key properties of (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride?
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 173100339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).