1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid

C12H19NO3 — CID 43162956

IUPAC1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC/C=C(\C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO3/c1-3-6-9(2)10(14)13-12(11(15)16)7-4-5-8-12/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)/b9-6+
InChIKeyLYNNKSYNCCXTCJ-RMKNXTFCSA-N
MW225.29 g/mol
LogP1.86
Rot. Bonds4

About 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid

1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43162956) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43162956
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC/C=C(\C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19NO3/c1-3-6-9(2)10(14)13-12(11(15)16)7-4-5-8-12/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)/b9-6+
InChIKeyLYNNKSYNCCXTCJ-RMKNXTFCSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid (CID 43162956) is 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid is CC/C=C(\C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LYNNKSYNCCXTCJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-6-9(2)10(14)13-12(11(15)16)7-4-5-8-12/h6H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)/b9-6+.
What are the key properties of 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-methylpent-2-enoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43162956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).