benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate

C18H28N2O2 — CID 67190825

IUPACbenzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(17(19)12-15-8-4-2-5-9-15)20-18(21)22-13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13,19H2,1H3,(H,20,21)/t14?,17-/m1/s1
InChIKeyCOUJGOAJIKOOFK-FBMWCMRBSA-N
MW304.43 g/mol
LogP3.60
Rot. Bonds6

About benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate

benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate (PubChem CID 67190825) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
PubChem CID67190825
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namebenzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(17(19)12-15-8-4-2-5-9-15)20-18(21)22-13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13,19H2,1H3,(H,20,21)/t14?,17-/m1/s1
InChIKeyCOUJGOAJIKOOFK-FBMWCMRBSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
CID 11109408
benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
CID 57124471
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
CID 10383854
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate (CID 67190825) is benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)[C@H](N)CC1CCCCC1.
What is the InChIKey of benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate?
The InChIKey is COUJGOAJIKOOFK-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(17(19)12-15-8-4-2-5-9-15)20-18(21)22-13-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13,19H2,1H3,(H,20,21)/t14?,17-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate?
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate is sourced from PubChem (CID 67190825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).