2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid

C23H24N2O4 — CID 135337288

IUPAC2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc2C1
InChIInChI=1S/C23H24N2O4/c26-14-18(9-17-13-24-20-8-4-3-7-19(17)20)25-22(29)23(12-21(27)28)10-15-5-1-2-6-16(15)11-23/h1-8,13,18,24,26H,9-12,14H2,(H,25,29)(H,27,28)/t18-/m0/s1
InChIKeyHFVDCWCMOCKGNJ-SFHVURJKSA-N
MW392.46 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid

2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 135337288) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
PubChem CID135337288
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc2C1
InChIInChI=1S/C23H24N2O4/c26-14-18(9-17-13-24-20-8-4-3-7-19(17)20)25-22(29)23(12-21(27)28)10-15-5-1-2-6-16(15)11-23/h1-8,13,18,24,26H,9-12,14H2,(H,25,29)(H,27,28)/t18-/m0/s1
InChIKeyHFVDCWCMOCKGNJ-SFHVURJKSA-N
XLogP2.45
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
2-[2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-(trimethylazaniumyl)ethylamino]propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetate
CID 146564857
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75515213
(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124625161
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138986863
tert-butyl 2-[2-[[(1S)-2-(1H-indol-3-yl)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamoyl]-1,3-dihydroinden-2-yl]acetate
CID 153493276
(2S)-2-(benzylcarbamoylamino)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylpentanamide
CID 70001543
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71035632
2-[ethyl-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026653
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid (CID 135337288) is 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is HFVDCWCMOCKGNJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-14-18(9-17-13-24-20-8-4-3-7-19(17)20)25-22(29)23(12-21(27)28)10-15-5-1-2-6-16(15)11-23/h1-8,13,18,24,26H,9-12,14H2,(H,25,29)(H,27,28)/t18-/m0/s1.
What are the key properties of 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 392.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 135337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).