3-[cyclohexyl(2-oxopropyl)amino]propanoic acid

C12H21NO3 — CID 82329101

IUPAC3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-10(14)9-13(8-7-12(15)16)11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,15,16)
InChIKeyPEGVZBCATWAXSF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.68
Rot. Bonds6

About 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid

3-[cyclohexyl(2-oxopropyl)amino]propanoic acid (PubChem CID 82329101) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
PubChem CID82329101
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-10(14)9-13(8-7-12(15)16)11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,15,16)
InChIKeyPEGVZBCATWAXSF-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329735
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid (CID 82329101) is 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid is CC(=O)CN(CCC(=O)O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid?
The InChIKey is PEGVZBCATWAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(14)9-13(8-7-12(15)16)11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid?
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 82329101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).