(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid

C16H22N2O3 — CID 103927350

IUPAC(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)14(15(20)21)18-13(19)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,10,14,17H,8-9H2,1-3H3,(H,18,19)(H,20,21)/t10?,14-/m0/s1
InChIKeyDNZWCSHEDGTEPJ-SBNLOKMTSA-N
MW290.36 g/mol
LogP2.20
Rot. Bonds4

About (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927350) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927350
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)14(15(20)21)18-13(19)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,10,14,17H,8-9H2,1-3H3,(H,18,19)(H,20,21)/t10?,14-/m0/s1
InChIKeyDNZWCSHEDGTEPJ-SBNLOKMTSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 103927350) is (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)CC1CNc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is DNZWCSHEDGTEPJ-SBNLOKMTSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)14(15(20)21)18-13(19)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,10,14,17H,8-9H2,1-3H3,(H,18,19)(H,20,21)/t10?,14-/m0/s1.
What are the key properties of (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).