(E)-4-(cyclopentyloxyamino)but-2-enoic acid

C9H15NO3 — CID 103262109

IUPAC(E)-4-(cyclopentyloxyamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNOC1CCCC1
InChIInChI=1S/C9H15NO3/c11-9(12)6-3-7-10-13-8-4-1-2-5-8/h3,6,8,10H,1-2,4-5,7H2,(H,11,12)/b6-3+
InChIKeyVLOGBNLYMQFQEB-ZZXKWVIFSA-N
MW185.22 g/mol
LogP1.09
Rot. Bonds5

About (E)-4-(cyclopentyloxyamino)but-2-enoic acid

(E)-4-(cyclopentyloxyamino)but-2-enoic acid (PubChem CID 103262109) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (E)-4-(cyclopentyloxyamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(cyclopentyloxyamino)but-2-enoic acid
PubChem CID103262109
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(E)-4-(cyclopentyloxyamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNOC1CCCC1
InChIInChI=1S/C9H15NO3/c11-9(12)6-3-7-10-13-8-4-1-2-5-8/h3,6,8,10H,1-2,4-5,7H2,(H,11,12)/b6-3+
InChIKeyVLOGBNLYMQFQEB-ZZXKWVIFSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.09
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 (E)-4-(cyclopentyloxyamino)but-2-enoic acid?
The IUPAC name of (E)-4-(cyclopentyloxyamino)but-2-enoic acid (CID 103262109) is (E)-4-(cyclopentyloxyamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(cyclopentyloxyamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(cyclopentyloxyamino)but-2-enoic acid is O=C(O)/C=C/CNOC1CCCC1.
What is the InChIKey of (E)-4-(cyclopentyloxyamino)but-2-enoic acid?
The InChIKey is VLOGBNLYMQFQEB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H15NO3/c11-9(12)6-3-7-10-13-8-4-1-2-5-8/h3,6,8,10H,1-2,4-5,7H2,(H,11,12)/b6-3+.
What are the key properties of (E)-4-(cyclopentyloxyamino)but-2-enoic acid?
(E)-4-(cyclopentyloxyamino)but-2-enoic acid has a molecular weight of 185.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(cyclopentyloxyamino)but-2-enoic acid is sourced from PubChem (CID 103262109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).