2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid

C8H11NO4 — CID 19754988

IUPAC2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(NC(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyVNJFLYMSUIIWMW-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.67
Rot. Bonds2

About 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid

2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 19754988) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID19754988
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(NC(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyVNJFLYMSUIIWMW-UHFFFAOYSA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid (CID 19754988) is 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid is C=C1CC(NC(=O)O)C(C(=O)O)C1.
What is the InChIKey of 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is VNJFLYMSUIIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-2-5(7(10)11)6(3-4)9-8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid?
2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 19754988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).