4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid

C10H17FN2O3 — CID 122014337

IUPAC4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCC(F)C1
InChIInChI=1S/C10H17FN2O3/c11-7-3-4-8(6-7)13-10(16)12-5-1-2-9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyAPBKCDTXYGLVLJ-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.04
Rot. Bonds5

About 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid

4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid (PubChem CID 122014337) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
PubChem CID122014337
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCC(F)C1
InChIInChI=1S/C10H17FN2O3/c11-7-3-4-8(6-7)13-10(16)12-5-1-2-9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyAPBKCDTXYGLVLJ-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122012972
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
CID 114548725

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid (CID 122014337) is 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NC1CCC(F)C1.
What is the InChIKey of 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is APBKCDTXYGLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3/c11-7-3-4-8(6-7)13-10(16)12-5-1-2-9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid?
4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 232.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122014337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).