2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid

C13H24N2O5 — CID 81081378

IUPAC2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-9-11(12(16)17)15-13(18)14-7-8-20-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyAKXCBHOXKYBLQP-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.73
Rot. Bonds8

About 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid

2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid (PubChem CID 81081378) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
PubChem CID81081378
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NCCOC1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-9-11(12(16)17)15-13(18)14-7-8-20-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyAKXCBHOXKYBLQP-UHFFFAOYSA-N
XLogP0.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid (CID 81081378) is 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid is COCC(NC(=O)NCCOC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid?
The InChIKey is AKXCBHOXKYBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-19-9-11(12(16)17)15-13(18)14-7-8-20-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid?
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 81081378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).