2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid

C15H27NO4 — CID 22042505

IUPAC2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(CCC1CCCCC1)NC(C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeySSKKXRIKYHEFTJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds8

About 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid

2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid (PubChem CID 22042505) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid
PubChem CID22042505
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(CCC1CCCCC1)NC(C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeySSKKXRIKYHEFTJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
(4S)-3-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 156773009
(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 76966330
(2S,3aR,7aR)-1-[(2S)-2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 67884900
(Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 175673962
2-[(2S)-2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoyl]-2-azaspiro[4.4]nonane-3-carboxylic acid
CID 67885206
(3R)-2-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 71751932
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
(2S)-2-[[(2S)-1-ethoxy-1-oxo-7-(1-phenylmethoxycarbonylpiperidin-4-yl)heptan-2-yl]amino]propanoic acid
CID 15927636
(3R)-2-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
CID 71750758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid (CID 22042505) is 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid is CCOC(=O)C(CCC1CCCCC1)NC(C)C(=O)O.
What is the InChIKey of 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid?
The InChIKey is SSKKXRIKYHEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid?
2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 22042505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).