3-(but-2-enoylamino)cyclopentane-1-carboxylic acid

C10H15NO3 — CID 77109198

IUPAC3-(but-2-enoylamino)cyclopentane-1-carboxylic acid
SMILESCC=CC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyZJSONHFJHTVISQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds3

About 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid

3-(but-2-enoylamino)cyclopentane-1-carboxylic acid (PubChem CID 77109198) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(but-2-enoylamino)cyclopentane-1-carboxylic acid
PubChem CID77109198
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(but-2-enoylamino)cyclopentane-1-carboxylic acid
SMILESCC=CC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyZJSONHFJHTVISQ-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874047
cis-(1S,3R)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874102
3-Acetamidocyclopentane-1-carboxylic acid
CID 65439115
3-(Prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 65998261
3-Propanamidocyclopentane-1-carboxylic acid
CID 66030513
3-(2-Methylpropanoylamino)cyclopentane-1-carboxylic acid
CID 66030912
(1R,3S)-3-Propionylamino-cyclopentanecarboxylic acid
CID 67112454
(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 89374193
(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
methyl (1S,3R,4S)-3-methyl-4-(prop-2-enoylamino)cyclopentane-1-carboxylate
CID 118048956
(1S,3R)-3-acetamidocyclopentane-1-carboxylic acid
CID 122236763
trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 138491258

Frequently Asked Questions

What is the IUPAC name of 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid (CID 77109198) is 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid is CC=CC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZJSONHFJHTVISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid?
3-(but-2-enoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-enoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 77109198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).