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

C13H23N3O3 — CID 114173620

IUPACcis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-15-5-7-16(8-6-15)13(19)14-11-4-3-10(9-11)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11+/m1/s1
InChIKeyFSCHDAZVFBXKSV-MNOVXSKESA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds3

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

cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114173620) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114173620
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namecis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-2-15-5-7-16(8-6-15)13(19)14-11-4-3-10(9-11)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11+/m1/s1
InChIKeyFSCHDAZVFBXKSV-MNOVXSKESA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
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-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723
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-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 114173620) is cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1.
What is the InChIKey of cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FSCHDAZVFBXKSV-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-15-5-7-16(8-6-15)13(19)14-11-4-3-10(9-11)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).