[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid

C15H30N2O2 — CID 174639349

IUPAC[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
SMILESCCC(C)(C)N(C(=O)O)[C@H](CN)CC1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-4-15(2,3)17(14(18)19)13(11-16)10-12-8-6-5-7-9-12/h12-13H,4-11,16H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUAFKMXNJZQLOJF-ZDUSSCGKSA-N
MW270.42 g/mol
LogP3.45
Rot. Bonds6

About [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid

[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid (PubChem CID 174639349) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
PubChem CID174639349
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
SMILESCCC(C)(C)N(C(=O)O)[C@H](CN)CC1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-4-15(2,3)17(14(18)19)13(11-16)10-12-8-6-5-7-9-12/h12-13H,4-11,16H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUAFKMXNJZQLOJF-ZDUSSCGKSA-N
XLogP3.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
CID 69298750
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
tert-butyl-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87182551
diethyl 3-(cyclohexylmethyl)-2-ethyl-2-methylbutanedioate
CID 22241944
tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
CID 169096210
[(2R)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]-(2,2-dimethylpropyl)carbamic acid
CID 67251853
tert-butyl-[(2S,3R)-1-cyclohexyl-3-methylsulfonyloxybutan-2-yl]carbamic acid
CID 87303013
tert-butyl N-[(2S)-3-cyclohexyl-2-(dibenzylamino)propyl]-N-methylcarbamate
CID 141276838
[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
CID 69468804
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid?
The IUPAC name of [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid (CID 174639349) is [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid.
What is the SMILES notation for [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid?
The canonical SMILES for [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid is CCC(C)(C)N(C(=O)O)[C@H](CN)CC1CCCCC1.
What is the InChIKey of [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid?
The InChIKey is UAFKMXNJZQLOJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-15(2,3)17(14(18)19)13(11-16)10-12-8-6-5-7-9-12/h12-13H,4-11,16H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid?
[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid has a molecular weight of 270.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid is sourced from PubChem (CID 174639349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).