cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 106319764

IUPACcis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2)6-3-7-16(9-14)13(19)15-11-5-4-10(8-11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10-,11+/m1/s1
InChIKeyZTOUKOQUHSGMKA-MNOVXSKESA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds2

About cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106319764) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106319764
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2)6-3-7-16(9-14)13(19)15-11-5-4-10(8-11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10-,11+/m1/s1
InChIKeyZTOUKOQUHSGMKA-MNOVXSKESA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023316
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
cis-(1R,3S)-3-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319617
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106319764) is cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1(C)CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZTOUKOQUHSGMKA-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)6-3-7-16(9-14)13(19)15-11-5-4-10(8-11)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).