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

C16H22N2O3 — CID 107146830

IUPAC(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-3-7-14(16(20)21)18-15(19)9-11-10-17-13-8-5-4-6-12(11)13/h4-6,8,11,14,17H,2-3,7,9-10H2,1H3,(H,18,19)(H,20,21)/t11?,14-/m0/s1
InChIKeyBTRBBDNOAGSSFB-IAXJKZSUSA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds7

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

(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid (PubChem CID 107146830) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid
PubChem CID107146830
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-3-7-14(16(20)21)18-15(19)9-11-10-17-13-8-5-4-6-12(11)13/h4-6,8,11,14,17H,2-3,7,9-10H2,1H3,(H,18,19)(H,20,21)/t11?,14-/m0/s1
InChIKeyBTRBBDNOAGSSFB-IAXJKZSUSA-N
XLogP2.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870152
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
N-(1-cyclopropylpropan-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573557
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 80571900
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid (CID 107146830) is (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CC1CNc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is BTRBBDNOAGSSFB-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-7-14(16(20)21)18-15(19)9-11-10-17-13-8-5-4-6-12(11)13/h4-6,8,11,14,17H,2-3,7,9-10H2,1H3,(H,18,19)(H,20,21)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 107146830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).