cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid

C11H19N3O3 — CID 106319369

IUPACcis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)N2CCNCC2)C1
InChIInChI=1S/C11H19N3O3/c15-10(16)8-1-2-9(7-8)13-11(17)14-5-3-12-4-6-14/h8-9,12H,1-7H2,(H,13,17)(H,15,16)/t8-,9+/m1/s1
InChIKeyZTEFOWAXSWTXHW-BDAKNGLRSA-N
MW241.29 g/mol
LogP-0.15
Rot. Bonds2

About cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106319369) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID106319369
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namecis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)N2CCNCC2)C1
InChIInChI=1S/C11H19N3O3/c15-10(16)8-1-2-9(7-8)13-11(17)14-5-3-12-4-6-14/h8-9,12H,1-7H2,(H,13,17)(H,15,16)/t8-,9+/m1/s1
InChIKeyZTEFOWAXSWTXHW-BDAKNGLRSA-N
XLogP-0.15
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid (CID 106319369) is cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NC(=O)N2CCNCC2)C1.
What is the InChIKey of cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZTEFOWAXSWTXHW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(16)8-1-2-9(7-8)13-11(17)14-5-3-12-4-6-14/h8-9,12H,1-7H2,(H,13,17)(H,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.15, 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-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).