2-formamido-4-methylidenecyclopentane-1-carboxylic acid

C8H11NO3 — CID 57195493

IUPAC2-formamido-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(NC=O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-5-2-6(8(11)12)7(3-5)9-4-10/h4,6-7H,1-3H2,(H,9,10)(H,11,12)
InChIKeyJKBXDGKCJPFSIP-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.15
Rot. Bonds3

About 2-formamido-4-methylidenecyclopentane-1-carboxylic acid

2-formamido-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 57195493) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-formamido-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-formamido-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID57195493
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-formamido-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(NC=O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO3/c1-5-2-6(8(11)12)7(3-5)9-4-10/h4,6-7H,1-3H2,(H,9,10)(H,11,12)
InChIKeyJKBXDGKCJPFSIP-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of 2-formamido-4-methylidenecyclopentane-1-carboxylic acid (CID 57195493) is 2-formamido-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-formamido-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for 2-formamido-4-methylidenecyclopentane-1-carboxylic acid is C=C1CC(NC=O)C(C(=O)O)C1.
What is the InChIKey of 2-formamido-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is JKBXDGKCJPFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-2-6(8(11)12)7(3-5)9-4-10/h4,6-7H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-formamido-4-methylidenecyclopentane-1-carboxylic acid?
2-formamido-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 57195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).