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

C13H22N2O3 — CID 82762406

IUPAC1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-5-10(13)15-11(16)9-4-3-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,10?,13?/m0/s1
InChIKeyYHXLEVFPYBAAQT-JBLZRFIASA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds3

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

1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82762406) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82762406
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-5-10(13)15-11(16)9-4-3-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,10?,13?/m0/s1
InChIKeyYHXLEVFPYBAAQT-JBLZRFIASA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760447
1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763010
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762632
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 82762406) is 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YHXLEVFPYBAAQT-JBLZRFIASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(12(17)18)6-2-5-10(13)15-11(16)9-4-3-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,15,16)(H,17,18)/t9-,10?,13?/m0/s1.
What are the key properties of 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).