1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide

C9H16N2O2 — CID 130683262

IUPAC1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1CC1CC1
InChIInChI=1S/C9H16N2O2/c10-9(13)8-3-7(12)5-11(8)4-6-1-2-6/h6-8,12H,1-5H2,(H2,10,13)
InChIKeyOFEKBGTXXBHDEG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.68
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide

1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 130683262) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID130683262
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1CC1CC1
InChIInChI=1S/C9H16N2O2/c10-9(13)8-3-7(12)5-11(8)4-6-1-2-6/h6-8,12H,1-5H2,(H2,10,13)
InChIKeyOFEKBGTXXBHDEG-UHFFFAOYSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 102568695
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 162453191
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-[(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 157242783
2-O-tert-butyl 3-O-ethyl (6S,8aR)-6-[[(2S,4R)-2-ethoxycarbonyl-4-hydroxypyrrolidin-1-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 90869138
1-(cyclopentylmethyl)-5-methylpyrrolidin-3-ol
CID 127682151
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
3-amino-4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)-4-oxobutanoic acid
CID 64896319
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
(2S,4R)-N-(4-tert-butylcyclohexyl)-4-hydroxy-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67953237

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide (CID 130683262) is 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is OFEKBGTXXBHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(13)8-3-7(12)5-11(8)4-6-1-2-6/h6-8,12H,1-5H2,(H2,10,13).
What are the key properties of 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 130683262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).