3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid

C15H27NO4 — CID 175070123

IUPAC3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid
SMILESCCCN(C(=O)OCC)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-10-16(15(19)20-4-2)13(11-14(17)18)12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyOOWNMFKVEYVAKF-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.28
Rot. Bonds7

About 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid

3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid (PubChem CID 175070123) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid
PubChem CID175070123
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid
SMILESCCCN(C(=O)OCC)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-10-16(15(19)20-4-2)13(11-14(17)18)12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyOOWNMFKVEYVAKF-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 150375972
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid?
The IUPAC name of 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid (CID 175070123) is 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid is CCCN(C(=O)OCC)C(CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid?
The InChIKey is OOWNMFKVEYVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-10-16(15(19)20-4-2)13(11-14(17)18)12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid?
3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid has a molecular weight of 285.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[ethoxycarbonyl(propyl)amino]propanoic acid is sourced from PubChem (CID 175070123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).