2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid

C20H36N2O5 — CID 129206549

IUPAC2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid
SMILESCCC(C)(OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C(C)C)C1)C(=O)O
InChIInChI=1S/C20H36N2O5/c1-8-20(7,16(24)25)27-17(26)22-14-9-18(4,5)11-19(6,10-14)12-21-15(23)13(2)3/h13-14H,8-12H2,1-7H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyLSOPUNFVRKEQES-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid

2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid (PubChem CID 129206549) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid
PubChem CID129206549
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Name2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid
SMILESCCC(C)(OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C(C)C)C1)C(=O)O
InChIInChI=1S/C20H36N2O5/c1-8-20(7,16(24)25)27-17(26)22-14-9-18(4,5)11-19(6,10-14)12-21-15(23)13(2)3/h13-14H,8-12H2,1-7H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyLSOPUNFVRKEQES-UHFFFAOYSA-N
XLogP3.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 130346361
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
2-[[1,3,3-trimethyl-5-(propan-2-yloxycarbonylamino)cyclohexyl]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 153361076
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
3-(dimethylamino)propyl N-[3-[[3-(dimethylamino)propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 156847292
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
[3-[(dodecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 154014296
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid?
The IUPAC name of 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid (CID 129206549) is 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid?
The canonical SMILES for 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid is CCC(C)(OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C(C)C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid?
The InChIKey is LSOPUNFVRKEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-8-20(7,16(24)25)27-17(26)22-14-9-18(4,5)11-19(6,10-14)12-21-15(23)13(2)3/h13-14H,8-12H2,1-7H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid?
2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid has a molecular weight of 384.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid is sourced from PubChem (CID 129206549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).