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

C11H19NO3 — CID 103262121

IUPAC4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid
SMILESCCC(=CCNOC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-9(11(13)14)7-8-12-15-10-5-3-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyHLEMFMFKTAMGNH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.87
Rot. Bonds6

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

4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid (PubChem CID 103262121) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid
PubChem CID103262121
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid
SMILESCCC(=CCNOC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-9(11(13)14)7-8-12-15-10-5-3-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyHLEMFMFKTAMGNH-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid?
The IUPAC name of 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid (CID 103262121) is 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid.
What is the SMILES notation for 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid?
The canonical SMILES for 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid is CCC(=CCNOC1CCCC1)C(=O)O.
What is the InChIKey of 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid?
The InChIKey is HLEMFMFKTAMGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-9(11(13)14)7-8-12-15-10-5-3-4-6-10/h7,10,12H,2-6,8H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid?
4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxyamino)-2-ethylbut-2-enoic acid is sourced from PubChem (CID 103262121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).