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

C8H16N2O2 — CID 89453120

IUPAC3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCN(C(N)=O)C1
InChIInChI=1S/C8H16N2O2/c1-6(11)4-7-2-3-10(5-7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12)
InChIKeyYFRVMJNMCDVRHP-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.16
Rot. Bonds2

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

3-(2-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 89453120) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID89453120
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCN(C(N)=O)C1
InChIInChI=1S/C8H16N2O2/c1-6(11)4-7-2-3-10(5-7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12)
InChIKeyYFRVMJNMCDVRHP-UHFFFAOYSA-N
XLogP0.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 154876937
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide (CID 89453120) is 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide is CC(O)CC1CCN(C(N)=O)C1.
What is the InChIKey of 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is YFRVMJNMCDVRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(11)4-7-2-3-10(5-7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12).
What are the key properties of 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 89453120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).