(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid

C14H20N2O5 — CID 79009289

IUPAC(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCOc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-8(2)12(13(17)18)16-14(19)15-10-6-5-9(20-3)7-11(10)21-4/h5-8,12H,1-4H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyLIDHVLUXWFUNFT-GFCCVEGCSA-N
MW296.32 g/mol
LogP1.93
Rot. Bonds6

About (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid

(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 79009289) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID79009289
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCOc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-8(2)12(13(17)18)16-14(19)15-10-6-5-9(20-3)7-11(10)21-4/h5-8,12H,1-4H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyLIDHVLUXWFUNFT-GFCCVEGCSA-N
XLogP1.93
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
2-[[3-[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 67353447
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543
1-[(2R)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(2,4-dimethoxyphenyl)urea
CID 92881391
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid (CID 79009289) is (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid is COc1ccc(NC(=O)N[C@@H](C(=O)O)C(C)C)c(OC)c1.
What is the InChIKey of (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is LIDHVLUXWFUNFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8(2)12(13(17)18)16-14(19)15-10-6-5-9(20-3)7-11(10)21-4/h5-8,12H,1-4H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid?
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79009289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).