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

C19H30N2O4 — CID 120679065

IUPACcis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1)C1CCCC1
InChIInChI=1S/C19H30N2O4/c22-17(12-3-1-2-4-12)20-15-8-5-13(6-9-15)18(23)21-16-10-7-14(11-16)19(24)25/h12-16H,1-11H2,(H,20,22)(H,21,23)(H,24,25)/t13?,14-,15?,16+/m1/s1
InChIKeyXWYQRTISMIASAO-KNIAUWFNSA-N
MW350.46 g/mol
LogP2.22
Rot. Bonds5

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

cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120679065) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120679065
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namecis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1)C1CCCC1
InChIInChI=1S/C19H30N2O4/c22-17(12-3-1-2-4-12)20-15-8-5-13(6-9-15)18(23)21-16-10-7-14(11-16)19(24)25/h12-16H,1-11H2,(H,20,22)(H,21,23)(H,24,25)/t13?,14-,15?,16+/m1/s1
InChIKeyXWYQRTISMIASAO-KNIAUWFNSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopropylcycloheptanecarboxamide
CID 62778853
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120679065) is cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1)C1CCCC1.
What is the InChIKey of cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XWYQRTISMIASAO-KNIAUWFNSA-N. The full InChI is InChI=1S/C19H30N2O4/c22-17(12-3-1-2-4-12)20-15-8-5-13(6-9-15)18(23)21-16-10-7-14(11-16)19(24)25/h12-16H,1-11H2,(H,20,22)(H,21,23)(H,24,25)/t13?,14-,15?,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 350.46 g/mol, XLogP of 2.22, 5 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-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).