4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

C12H23N3O2 — CID 123171011

IUPAC4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCC2CCCCC2O)C1
InChIInChI=1S/C12H23N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h8-11,14,16H,1-7,13H2,(H,15,17)
InChIKeyKVMAIKUZEVBZCK-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.66
Rot. Bonds3

About 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide

4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 123171011) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID123171011
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCC2CCCCC2O)C1
InChIInChI=1S/C12H23N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h8-11,14,16H,1-7,13H2,(H,15,17)
InChIKeyKVMAIKUZEVBZCK-UHFFFAOYSA-N
XLogP-0.66
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-hydroxycyclohexyl)propyl]-1-methylpyrrolidine-2-carboxamide
CID 102553487
(2R)-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 126799063
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
N-(2-cyclohexyl-2-hydroxyethyl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120348403
N-(2-cyclohexyl-2-hydroxyethyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120348404
4,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350237
4,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 120350238
4,4-difluoro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350395
4,4-difluoro-N-[(2-hydroxy-1-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 120350396
2-Amino-2-(2-hydroxycyclohexyl)-1-pyrrolidin-1-ylethanone
CID 9899379
(2S)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone
CID 12018354
(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone
CID 12018356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 123171011) is 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is NC1CNC(C(=O)NCC2CCCCC2O)C1.
What is the InChIKey of 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KVMAIKUZEVBZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h8-11,14,16H,1-7,13H2,(H,15,17).
What are the key properties of 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide?
4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123171011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).