2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid

C15H22N2O4 — CID 65219817

IUPAC2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-9(2)11(14(18)19)8-16-15(20)17-12-7-10(3)5-6-13(12)21-4/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeySPBVZYOXVKFYJD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid

2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 65219817) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID65219817
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-9(2)11(14(18)19)8-16-15(20)17-12-7-10(3)5-6-13(12)21-4/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeySPBVZYOXVKFYJD-UHFFFAOYSA-N
XLogP2.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468608
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
2-[[(4-chloro-3-methoxyphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 107622487
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid (CID 65219817) is 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid is COc1ccc(C)cc1NC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is SPBVZYOXVKFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)11(14(18)19)8-16-15(20)17-12-7-10(3)5-6-13(12)21-4/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid?
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65219817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).