tert-butyl 2-amino-3-cyclohexylpropanoate

C13H25NO2 — CID 20814860

IUPACtert-butyl 2-amino-3-cyclohexylpropanoate
SMILESCC(C)(C)OC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3
InChIKeyBFHYVCSFGFKQIG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 2-amino-3-cyclohexylpropanoate

tert-butyl 2-amino-3-cyclohexylpropanoate (PubChem CID 20814860) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-amino-3-cyclohexylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-cyclohexylpropanoate
PubChem CID20814860
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-amino-3-cyclohexylpropanoate
SMILESCC(C)(C)OC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3
InChIKeyBFHYVCSFGFKQIG-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl (2S)-2-amino-3-(4,4-dimethylcyclohexyl)propanoate
CID 126559741
tert-butyl 2-amino-3-piperidin-3-ylpropanoate
CID 57429451
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
(2S,3S)-2-amino-3-(cyclohexylmethyl)-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 154154666
3-amino-4-cyclohexylbutan-2-one
CID 20668322
1-O-tert-butyl 4-O,4-O-bis(prop-2-enyl) 1-amino-7-cyclohexylheptane-1,4,4-tricarboxylate
CID 67694815
tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
CID 104749788
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
tert-butyl 4,5-diamino-2-(cyclohexylmethyl)-3,4-dihydroxy-5-oxopentanoate
CID 67937284
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-cyclohexylpropanoate?
The IUPAC name of tert-butyl 2-amino-3-cyclohexylpropanoate (CID 20814860) is tert-butyl 2-amino-3-cyclohexylpropanoate.
What is the SMILES notation for tert-butyl 2-amino-3-cyclohexylpropanoate?
The canonical SMILES for tert-butyl 2-amino-3-cyclohexylpropanoate is CC(C)(C)OC(=O)C(N)CC1CCCCC1.
What is the InChIKey of tert-butyl 2-amino-3-cyclohexylpropanoate?
The InChIKey is BFHYVCSFGFKQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-cyclohexylpropanoate?
tert-butyl 2-amino-3-cyclohexylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-cyclohexylpropanoate is sourced from PubChem (CID 20814860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).