3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid

C17H28N2O4 — CID 119221469

IUPAC3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H28N2O4/c1-11(10-15(20)21)18-16(22)13-6-8-14(9-7-13)19-17(23)12-4-2-3-5-12/h11-14H,2-10H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyANDGENBRMQIYOU-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.83
Rot. Bonds6

About 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid

3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid (PubChem CID 119221469) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
PubChem CID119221469
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H28N2O4/c1-11(10-15(20)21)18-16(22)13-6-8-14(9-7-13)19-17(23)12-4-2-3-5-12/h11-14H,2-10H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyANDGENBRMQIYOU-UHFFFAOYSA-N
XLogP1.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid (CID 119221469) is 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid?
The InChIKey is ANDGENBRMQIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-11(10-15(20)21)18-16(22)13-6-8-14(9-7-13)19-17(23)12-4-2-3-5-12/h11-14H,2-10H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid?
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid has a molecular weight of 324.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119221469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).