3-(cyclohexen-1-ylamino)oxypropanoic acid

C9H15NO3 — CID 57306132

IUPAC3-(cyclohexen-1-ylamino)oxypropanoic acid
SMILESO=C(O)CCONC1=CCCCC1
InChIInChI=1S/C9H15NO3/c11-9(12)6-7-13-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2,(H,11,12)
InChIKeyPYHPJAXXEGJZKK-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.44
Rot. Bonds5

About 3-(cyclohexen-1-ylamino)oxypropanoic acid

3-(cyclohexen-1-ylamino)oxypropanoic acid (PubChem CID 57306132) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylamino)oxypropanoic acid.

Molecular Properties

Compound Name3-(cyclohexen-1-ylamino)oxypropanoic acid
PubChem CID57306132
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(cyclohexen-1-ylamino)oxypropanoic acid
SMILESO=C(O)CCONC1=CCCCC1
InChIInChI=1S/C9H15NO3/c11-9(12)6-7-13-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2,(H,11,12)
InChIKeyPYHPJAXXEGJZKK-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethoxy)cyclohexen-1-amine
CID 90726751
N-but-2-ynoxycyclohexen-1-amine
CID 91804644
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
2-chloro-N-(cyclohexen-1-yl)acetamide
CID 22251791
cycloocten-1-ylurea
CID 154107907
1,2-di(cyclohexen-1-yl)hydrazine
CID 162410635
(cyclohexen-1-ylamino) benzenesulfonate
CID 91196759
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
(cycloocten-1-ylamino) benzenesulfonate
CID 91274866
(cyclododecen-1-ylamino) benzenesulfonate
CID 91037986
(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate
CID 117060208

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylamino)oxypropanoic acid?
The IUPAC name of 3-(cyclohexen-1-ylamino)oxypropanoic acid (CID 57306132) is 3-(cyclohexen-1-ylamino)oxypropanoic acid.
What is the SMILES notation for 3-(cyclohexen-1-ylamino)oxypropanoic acid?
The canonical SMILES for 3-(cyclohexen-1-ylamino)oxypropanoic acid is O=C(O)CCONC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-ylamino)oxypropanoic acid?
The InChIKey is PYHPJAXXEGJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-9(12)6-7-13-10-8-4-2-1-3-5-8/h4,10H,1-3,5-7H2,(H,11,12).
What are the key properties of 3-(cyclohexen-1-ylamino)oxypropanoic acid?
3-(cyclohexen-1-ylamino)oxypropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylamino)oxypropanoic acid is sourced from PubChem (CID 57306132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).