3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid

C16H17FN2O4 — CID 166366620

IUPAC3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NCC3(O)CC(C(=O)O)C3)cc12
InChIInChI=1S/C16H17FN2O4/c1-8-2-10(17)3-12-11(8)4-13(19-12)14(20)18-7-16(23)5-9(6-16)15(21)22/h2-4,9,19,23H,5-7H2,1H3,(H,18,20)(H,21,22)
InChIKeyVAWRKZHQSJWIFV-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.57
Rot. Bonds4

About 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid

3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 166366620) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID166366620
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NCC3(O)CC(C(=O)O)C3)cc12
InChIInChI=1S/C16H17FN2O4/c1-8-2-10(17)3-12-11(8)4-13(19-12)14(20)18-7-16(23)5-9(6-16)15(21)22/h2-4,9,19,23H,5-7H2,1H3,(H,18,20)(H,21,22)
InChIKeyVAWRKZHQSJWIFV-UHFFFAOYSA-N
XLogP1.57
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid with MolForge

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Related Compounds

2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
CID 99809059
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
CID 111433448
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
CID 167801273
1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 119135616
3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228024
2-[(2R)-4-(6-fluoro-4-methyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124695833
ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate
CID 86963712
6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
CID 167826713

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid (CID 166366620) is 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid is Cc1cc(F)cc2[nH]c(C(=O)NCC3(O)CC(C(=O)O)C3)cc12.
What is the InChIKey of 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is VAWRKZHQSJWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-8-2-10(17)3-12-11(8)4-13(19-12)14(20)18-7-16(23)5-9(6-16)15(21)22/h2-4,9,19,23H,5-7H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid?
3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 166366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).