2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid

C9H13NO4 — CID 123543589

IUPAC2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid
SMILESCOC(=O)C1CCC/C1=N\CC(=O)O
InChIInChI=1S/C9H13NO4/c1-14-9(13)6-3-2-4-7(6)10-5-8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+
InChIKeyDVWQVRAAKPCEQO-JXMROGBWSA-N
MW199.21 g/mol
LogP0.49
Rot. Bonds3

About 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid

2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid (PubChem CID 123543589) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid
PubChem CID123543589
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid
SMILESCOC(=O)C1CCC/C1=N\CC(=O)O
InChIInChI=1S/C9H13NO4/c1-14-9(13)6-3-2-4-7(6)10-5-8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+
InChIKeyDVWQVRAAKPCEQO-JXMROGBWSA-N
XLogP0.49
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3S)-Methyl 3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45115905
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
Ethyl 2-ethyliminocyclopentane-1-carboxylate
CID 90768335
methyl (2S,4S)-4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 122451420
Methyl 2-methyliminocyclopentane-1-carboxylate
CID 139895330
Methyl 2-propan-2-yliminocyclopentane-1-carboxylate
CID 139895357
Methyl 2-ethyliminocyclopentane-1-carboxylate
CID 139895361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid?
The IUPAC name of 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid (CID 123543589) is 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid is COC(=O)C1CCC/C1=N\CC(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid?
The InChIKey is DVWQVRAAKPCEQO-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO4/c1-14-9(13)6-3-2-4-7(6)10-5-8(11)12/h6H,2-5H2,1H3,(H,11,12)/b10-7+.
What are the key properties of 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid?
2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylcyclopentylidene)amino]acetic acid is sourced from PubChem (CID 123543589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).