4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H29NO5 — CID 19775785

IUPAC4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CC=CC1)C(=O)O
InChIInChI=1S/C19H29NO5/c1-2-5-14(17(23)24)12-19(10-3-4-11-19)18(25)20-15-8-6-13(7-9-15)16(21)22/h3-4,13-15H,2,5-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyZUWMGPSKVSRJTC-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.97
Rot. Bonds8

About 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 19775785) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID19775785
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CC=CC1)C(=O)O
InChIInChI=1S/C19H29NO5/c1-2-5-14(17(23)24)12-19(10-3-4-11-19)18(25)20-15-8-6-13(7-9-15)16(21)22/h3-4,13-15H,2,5-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyZUWMGPSKVSRJTC-UHFFFAOYSA-N
XLogP2.97
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 19775785) is 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CCCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CC=CC1)C(=O)O.
What is the InChIKey of 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZUWMGPSKVSRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-2-5-14(17(23)24)12-19(10-3-4-11-19)18(25)20-15-8-6-13(7-9-15)16(21)22/h3-4,13-15H,2,5-12H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 351.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-carboxypentyl)cyclopent-3-ene-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).