4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid

C10H17NO3 — CID 103262095

IUPAC4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNOC1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)6-7-11-14-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHWLAPAHYSFKENJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.48
Rot. Bonds5

About 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid

4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid (PubChem CID 103262095) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid
PubChem CID103262095
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid
SMILESCC(=CCNOC1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)6-7-11-14-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13)
InChIKeyHWLAPAHYSFKENJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(cyclopentyloxyamino)-2-methylbut-2-enoic 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 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid?
The IUPAC name of 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid (CID 103262095) is 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid?
The canonical SMILES for 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid is CC(=CCNOC1CCCC1)C(=O)O.
What is the InChIKey of 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid?
The InChIKey is HWLAPAHYSFKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(10(12)13)6-7-11-14-9-4-2-3-5-9/h6,9,11H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid?
4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxyamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 103262095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).