acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate

C14H27NO4 — CID 68737349

IUPACacetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
SMILESCC(=O)O.CCOC(=O)C(C)CNC1CCCCC1
InChIInChI=1S/C12H23NO2.C2H4O2/c1-3-15-12(14)10(2)9-13-11-7-5-4-6-8-11;1-2(3)4/h10-11,13H,3-9H2,1-2H3;1H3,(H,3,4)
InChIKeyUGXJKTVVGWKTAO-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.20
Rot. Bonds5

About acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate

acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate (PubChem CID 68737349) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameacetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
PubChem CID68737349
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameacetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate
SMILESCC(=O)O.CCOC(=O)C(C)CNC1CCCCC1
InChIInChI=1S/C12H23NO2.C2H4O2/c1-3-15-12(14)10(2)9-13-11-7-5-4-6-8-11;1-2(3)4/h10-11,13H,3-9H2,1-2H3;1H3,(H,3,4)
InChIKeyUGXJKTVVGWKTAO-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
2-methylpropyl 3-(cyclohexylamino)-2-methylpropanoate
CID 170283768
acetic acid;N-ethylcyclohexanamine
CID 66685670
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
CID 79357961
ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
CID 63995099
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate?
The IUPAC name of acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate (CID 68737349) is acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate.
What is the SMILES notation for acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate?
The canonical SMILES for acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate is CC(=O)O.CCOC(=O)C(C)CNC1CCCCC1.
What is the InChIKey of acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate?
The InChIKey is UGXJKTVVGWKTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C2H4O2/c1-3-15-12(14)10(2)9-13-11-7-5-4-6-8-11;1-2(3)4/h10-11,13H,3-9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate?
acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate has a molecular weight of 273.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 3-(cyclohexylamino)-2-methylpropanoate is sourced from PubChem (CID 68737349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).