(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide

C8H16N2O2 — CID 45116058

IUPAC(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CCCO
InChIInChI=1S/C8H16N2O2/c9-8(12)7-3-1-4-10(7)5-2-6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m0/s1
InChIKeyYQOIMZKACQSQFU-ZETCQYMHSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds4

About (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide

(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 45116058) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID45116058
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CCCO
InChIInChI=1S/C8H16N2O2/c9-8(12)7-3-1-4-10(7)5-2-6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m0/s1
InChIKeyYQOIMZKACQSQFU-ZETCQYMHSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylpyrrolidine-2-carboxamide
CID 19388617
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 67200162
(2S)-1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 139932183
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 62051378
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide (CID 45116058) is (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1CCCO.
What is the InChIKey of (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is YQOIMZKACQSQFU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(12)7-3-1-4-10(7)5-2-6-11/h7,11H,1-6H2,(H2,9,12)/t7-/m0/s1.
What are the key properties of (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45116058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).