3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid

C14H20N2O4 — CID 81066539

IUPAC3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Nc1ccccc1OC)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10(8-13(17)18)9-15-14(19)16-11-6-4-5-7-12(11)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPFLMTGDKJKNLEN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.32
Rot. Bonds7

About 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid

3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 81066539) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
PubChem CID81066539
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)Nc1ccccc1OC)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-10(8-13(17)18)9-15-14(19)16-11-6-4-5-7-12(11)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPFLMTGDKJKNLEN-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
CID 81066007
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013
4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158478
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
3-[[(2-bromo-4-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 81072206

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid (CID 81066539) is 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)Nc1ccccc1OC)CC(=O)O.
What is the InChIKey of 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is PFLMTGDKJKNLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-10(8-13(17)18)9-15-14(19)16-11-6-4-5-7-12(11)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid?
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81066539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).