[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid

C16H30N2O4 — CID 68709377

IUPAC[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-11(17-14(19)20)13(10-12-8-6-5-7-9-12)18-15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t11-,13-/m0/s1
InChIKeyFZDYIPZCEXTTHO-AAEUAGOBSA-N
MW314.43 g/mol
LogP3.51
Rot. Bonds5

About [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid

[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid (PubChem CID 68709377) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
PubChem CID68709377
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-11(17-14(19)20)13(10-12-8-6-5-7-9-12)18-15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t11-,13-/m0/s1
InChIKeyFZDYIPZCEXTTHO-AAEUAGOBSA-N
XLogP3.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
tert-butyl N-[(2S)-1-cyclohexyl-3,5-dihydroxy-6-methylheptan-2-yl]carbamate
CID 70056098
(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhexanoic acid
CID 57129165
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methyl-5-oxoheptan-2-yl]carbamate
CID 10641007
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(methylamino)butan-2-yl]carbamate
CID 57229567
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[(1S,2S)-3-cyclohexyl-1-(1,3-dithian-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 22852342
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
propan-2-yl (2R,3S)-2-acetyloxy-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 15712428
tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-(methylamino)-6-oxohexan-2-yl]carbamate
CID 15045750
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
CID 68758091

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid?
The IUPAC name of [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid (CID 68709377) is [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid is C[C@H](NC(=O)O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid?
The InChIKey is FZDYIPZCEXTTHO-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-11(17-14(19)20)13(10-12-8-6-5-7-9-12)18-15(21)22-16(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)/t11-,13-/m0/s1.
What are the key properties of [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid?
[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid has a molecular weight of 314.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid is sourced from PubChem (CID 68709377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).