3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid

C15H20N2O3 — CID 81072634

IUPAC3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1Cc2ccccc2N1)CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-10(7-14(18)19)9-16-15(20)13-8-11-5-3-4-6-12(11)17-13/h3-6,10,13,17H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyRZUDWVIONCYAGD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds6

About 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid

3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid (PubChem CID 81072634) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
PubChem CID81072634
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1Cc2ccccc2N1)CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-10(7-14(18)19)9-16-15(20)13-8-11-5-3-4-6-12(11)17-13/h3-6,10,13,17H,2,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyRZUDWVIONCYAGD-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]methyl]butanoic acid
CID 65224491
2-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]butanoic acid
CID 77061382
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597
(2S)-N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 66089072
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
CID 107222792
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid (CID 81072634) is 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)C1Cc2ccccc2N1)CC(=O)O.
What is the InChIKey of 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid?
The InChIKey is RZUDWVIONCYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-10(7-14(18)19)9-16-15(20)13-8-11-5-3-4-6-12(11)17-13/h3-6,10,13,17H,2,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid?
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81072634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).