2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid

C14H19FN2O3 — CID 61413250

IUPAC2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-6-12(13(18)19)16-14(20)17(2)9-10-7-4-5-8-11(10)15/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWGRJIWDAWQYNFW-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid

2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid (PubChem CID 61413250) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
PubChem CID61413250
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-6-12(13(18)19)16-14(20)17(2)9-10-7-4-5-8-11(10)15/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWGRJIWDAWQYNFW-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 61420536
(2R)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566203
(2S)-2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566202
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
(2R)-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]pentanoic acid
CID 107566204
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid
CID 61417871

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid (CID 61413250) is 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(C)Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is WGRJIWDAWQYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-6-12(13(18)19)16-14(20)17(2)9-10-7-4-5-8-11(10)15/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid?
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61413250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).