(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid

C20H26N2O4 — CID 10428483

IUPAC(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid
SMILESCC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-13-7-3-6-10-17(13)26-19(25)22-20(2,18(23)24)11-14-12-21-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17,21H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)/t13?,17?,20-/m1/s1
InChIKeyUHIPIRRHRZYPJW-RJGDCVCESA-N
MW358.44 g/mol
LogP3.86
Rot. Bonds5

About (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid

(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid (PubChem CID 10428483) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid
PubChem CID10428483
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid
SMILESCC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-13-7-3-6-10-17(13)26-19(25)22-20(2,18(23)24)11-14-12-21-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17,21H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)/t13?,17?,20-/m1/s1
InChIKeyUHIPIRRHRZYPJW-RJGDCVCESA-N
XLogP3.86
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic 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

(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1R,2R)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-4-phenylbutanoic acid
CID 10052360
[(1R,2R)-2-methylcyclohexyl] N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 23900136
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10455561
(2S)-3-(1H-indol-3-yl)-2-methyl-2-(4,4,4-trichlorobutoxycarbonylamino)propanoic acid
CID 22838884
bis[2-[[2-[(2-chlorocyclohexyl)oxycarbonylamino]-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylpropyl] butanedioate
CID 57031490
2-adamantyl N-[(2R)-1-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 10791209
2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetic acid
CID 18338541
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10074744
3-(1H-indol-3-yl)-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119201635
4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 18386748
methyl (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22838883

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid (CID 10428483) is (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid is CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid?
The InChIKey is UHIPIRRHRZYPJW-RJGDCVCESA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-7-3-6-10-17(13)26-19(25)22-20(2,18(23)24)11-14-12-21-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,17,21H,3,6-7,10-11H2,1-2H3,(H,22,25)(H,23,24)/t13?,17?,20-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid?
(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid has a molecular weight of 358.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 10428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).