(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid

C18H26N2O2 — CID 124623164

IUPAC(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O2/c1-2-16(18(21)22)19-10-7-14(8-11-19)13-20-12-9-15-5-3-4-6-17(15)20/h3-6,14,16H,2,7-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyDLQCIQRFLCOKCO-INIZCTEOSA-N
MW302.42 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid

(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid (PubChem CID 124623164) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
PubChem CID124623164
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O2/c1-2-16(18(21)22)19-10-7-14(8-11-19)13-20-12-9-15-5-3-4-6-17(15)20/h3-6,14,16H,2,7-13H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyDLQCIQRFLCOKCO-INIZCTEOSA-N
XLogP2.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]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

(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
CID 86936566
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
(E)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 154872105
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
2-(1,3-dihydroisoindol-2-yl)butanoic acid
CID 60727432
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
CID 167781295
3-(3,4-difluorophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 86936518
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid (CID 124623164) is (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1CCC(CN2CCc3ccccc32)CC1.
What is the InChIKey of (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid?
The InChIKey is DLQCIQRFLCOKCO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-16(18(21)22)19-10-7-14(8-11-19)13-20-12-9-15-5-3-4-6-17(15)20/h3-6,14,16H,2,7-13H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid?
(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 124623164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).