(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid

C18H23ClN2O3 — CID 138857398

IUPAC(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid
SMILESCN1c2ccc(Cl)cc2C[C@@H]1C(=O)N[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1
InChIKeyCURRXVCCZQBGQB-HZPDHXFCSA-N
MW350.85 g/mol
LogP2.85
Rot. Bonds4

About (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid

(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid (PubChem CID 138857398) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid
PubChem CID138857398
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid
SMILESCN1c2ccc(Cl)cc2C[C@@H]1C(=O)N[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1
InChIKeyCURRXVCCZQBGQB-HZPDHXFCSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid?
The IUPAC name of (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid (CID 138857398) is (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid.
What is the SMILES notation for (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid?
The canonical SMILES for (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid is CN1c2ccc(Cl)cc2C[C@@H]1C(=O)N[C@@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid?
The InChIKey is CURRXVCCZQBGQB-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid?
(2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid has a molecular weight of 350.85 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-5-chloro-1-methyl-2,3-dihydroindole-2-carbonyl]amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 138857398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).