2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid

C14H20N2O4 — CID 62871729

IUPAC2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C14H20N2O4/c1-5-12(13(17)18)16(3)14(19)15-11-7-6-10(20-4)8-9(11)2/h6-8,12H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyCEUBCZJDQJHMAX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.33
Rot. Bonds5

About 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid

2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid (PubChem CID 62871729) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid
PubChem CID62871729
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C14H20N2O4/c1-5-12(13(17)18)16(3)14(19)15-11-7-6-10(20-4)8-9(11)2/h6-8,12H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyCEUBCZJDQJHMAX-UHFFFAOYSA-N
XLogP2.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
2-[(2-bromo-4-iodophenyl)carbamoyl-methylamino]butanoic acid
CID 114260808
2-[methyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]butanoic acid
CID 62809713
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid (CID 62871729) is 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)Nc1ccc(OC)cc1C.
What is the InChIKey of 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid?
The InChIKey is CEUBCZJDQJHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-12(13(17)18)16(3)14(19)15-11-7-6-10(20-4)8-9(11)2/h6-8,12H,5H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid?
2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 62871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).