2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid

C17H24N2O3 — CID 82257846

IUPAC2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(C)C(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-4-10(2)15(17(21)22)19-11(3)16(20)13-5-6-14-12(9-13)7-8-18-14/h5-6,9-11,15,18-19H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyZBXUHNCCDVNBOH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds7

About 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid

2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid (PubChem CID 82257846) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
PubChem CID82257846
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(C)C(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-4-10(2)15(17(21)22)19-11(3)16(20)13-5-6-14-12(9-13)7-8-18-14/h5-6,9-11,15,18-19H,4,7-8H2,1-3H3,(H,21,22)
InChIKeyZBXUHNCCDVNBOH-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82257869
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 82256372
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid (CID 82257846) is 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid is CCC(C)C(NC(C)C(=O)c1ccc2c(c1)CCN2)C(=O)O.
What is the InChIKey of 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid?
The InChIKey is ZBXUHNCCDVNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-10(2)15(17(21)22)19-11(3)16(20)13-5-6-14-12(9-13)7-8-18-14/h5-6,9-11,15,18-19H,4,7-8H2,1-3H3,(H,21,22).
What are the key properties of 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid?
2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 82257846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).