tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate

C16H28N2O3 — CID 129446084

IUPACtert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-10-8-13(10)14(19)17-11-6-5-7-12(9-11)18-15(20)21-16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+,12-,13+/m1/s1
InChIKeyKSBAYLSYSJYPCB-XQHKEYJVSA-N
MW296.41 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate (PubChem CID 129446084) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
PubChem CID129446084
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
SMILESC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-10-8-13(10)14(19)17-11-6-5-7-12(9-11)18-15(20)21-16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+,12-,13+/m1/s1
InChIKeyKSBAYLSYSJYPCB-XQHKEYJVSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate (CID 129446084) is tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate is C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate?
The InChIKey is KSBAYLSYSJYPCB-XQHKEYJVSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-8-13(10)14(19)17-11-6-5-7-12(9-11)18-15(20)21-16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+,12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 129446084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).