2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 64815349

IUPAC2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H22N2O4/c16-8-9-3-2-6-15(7-9)13(19)14-11-5-1-4-10(11)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18)
InChIKeyIOFDCMSNLCHAAC-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.65
Rot. Bonds3

About 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64815349) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64815349
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C13H22N2O4/c16-8-9-3-2-6-15(7-9)13(19)14-11-5-1-4-10(11)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18)
InChIKeyIOFDCMSNLCHAAC-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
2-[(3-ethoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817701
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
N-[2-(hydroxymethyl)cyclopentyl]-3-methylpiperidine-1-carboxamide
CID 114178614
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64818080
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
CID 111508645

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 64815349) is 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IOFDCMSNLCHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-8-9-3-2-6-15(7-9)13(19)14-11-5-1-4-10(11)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).