2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid

C16H19FN2O3 — CID 119188123

IUPAC2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NC(CC(C)C)C(=O)O)cc12
InChIInChI=1S/C16H19FN2O3/c1-8(2)4-14(16(21)22)19-15(20)13-7-11-9(3)5-10(17)6-12(11)18-13/h5-8,14,18H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHJHHWYDUJRWDQZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.84
Rot. Bonds5

About 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid

2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119188123) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119188123
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NC(CC(C)C)C(=O)O)cc12
InChIInChI=1S/C16H19FN2O3/c1-8(2)4-14(16(21)22)19-15(20)13-7-11-9(3)5-10(17)6-12(11)18-13/h5-8,14,18H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHJHHWYDUJRWDQZ-UHFFFAOYSA-N
XLogP2.84
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694707
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
CID 111433448
3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228024
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119188586
2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112700709
(E)-2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]hex-4-enoic acid
CID 120692866
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 28740856
2-[(6-bromo-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188263
6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
CID 167801273
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid (CID 119188123) is 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid is Cc1cc(F)cc2[nH]c(C(=O)NC(CC(C)C)C(=O)O)cc12.
What is the InChIKey of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is HJHHWYDUJRWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-8(2)4-14(16(21)22)19-15(20)13-7-11-9(3)5-10(17)6-12(11)18-13/h5-8,14,18H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid?
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).