[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid

C16H31N3O3 — CID 69468804

IUPAC[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
SMILESCN(C(=O)NC(C)(C)C)[C@@H](CNC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)18-14(20)19(4)13(11-17-15(21)22)10-12-8-6-5-7-9-12/h12-13,17H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyAGBRXLVNSVXLBT-CYBMUJFWSA-N
MW313.44 g/mol
LogP3.03
Rot. Bonds5

About [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid

[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid (PubChem CID 69468804) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
PubChem CID69468804
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
SMILESCN(C(=O)NC(C)(C)C)[C@@H](CNC(=O)O)CC1CCCCC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)18-14(20)19(4)13(11-17-15(21)22)10-12-8-6-5-7-9-12/h12-13,17H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyAGBRXLVNSVXLBT-CYBMUJFWSA-N
XLogP3.03
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea
CID 140552228
tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
CID 69298750
[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
CID 174639349
[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 166748544
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 57451908
(2S)-2-[(3-amino-2-hydroxypropyl)amino]-N-tert-butyl-3-cyclohexylpropanamide
CID 10017644
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
1,3-dicyclopentyl-N,N-dimethylpropan-2-amine
CID 58122659
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
CID 84730029
[(2S)-3-cyclohexyl-1-hydrazinyl-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175450748

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid?
The IUPAC name of [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid (CID 69468804) is [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid.
What is the SMILES notation for [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid?
The canonical SMILES for [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid is CN(C(=O)NC(C)(C)C)[C@@H](CNC(=O)O)CC1CCCCC1.
What is the InChIKey of [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid?
The InChIKey is AGBRXLVNSVXLBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)18-14(20)19(4)13(11-17-15(21)22)10-12-8-6-5-7-9-12/h12-13,17H,5-11H2,1-4H3,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid?
[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid has a molecular weight of 313.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid is sourced from PubChem (CID 69468804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).