cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 106320203

IUPACcis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1O
InChIInChI=1S/C13H22N2O4/c1-8-7-15(5-4-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)/t8?,9-,10+,11?/m1/s1
InChIKeyDWJZTYQILMSEHE-WIFZPCQCSA-N
MW270.33 g/mol
LogP0.65
Rot. Bonds2

About cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320203) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320203
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namecis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1O
InChIInChI=1S/C13H22N2O4/c1-8-7-15(5-4-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)/t8?,9-,10+,11?/m1/s1
InChIKeyDWJZTYQILMSEHE-WIFZPCQCSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
1-[(3-methylcyclopentyl)carbamoyl]azetidine-3-carboxylic acid
CID 114548926

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106320203) is cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CCC1O.
What is the InChIKey of cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DWJZTYQILMSEHE-WIFZPCQCSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8-7-15(5-4-11(8)16)13(19)14-10-3-2-9(6-10)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)/t8?,9-,10+,11?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).