methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate

C15H20N2O4 — CID 43405965

IUPACmethyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(NC(C)=O)c1)C(C)C
InChIInChI=1S/C15H20N2O4/c1-9(2)13(15(20)21-4)17-14(19)11-6-5-7-12(8-11)16-10(3)18/h5-9,13H,1-4H3,(H,16,18)(H,17,19)
InChIKeyMZDRVEZSUCWCBM-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate

methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate (PubChem CID 43405965) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate
PubChem CID43405965
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(NC(C)=O)c1)C(C)C
InChIInChI=1S/C15H20N2O4/c1-9(2)13(15(20)21-4)17-14(19)11-6-5-7-12(8-11)16-10(3)18/h5-9,13H,1-4H3,(H,16,18)(H,17,19)
InChIKeyMZDRVEZSUCWCBM-UHFFFAOYSA-N
XLogP1.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 2-[[3-(carbamoylamino)benzoyl]amino]-3-methylbutanoate
CID 162429349
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
[2-(3-acetylanilino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 4588191
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl 3-[[(2R)-2-acetamido-3-methylbutanoyl]amino]benzoate
CID 40880276
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
methyl 2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]-3-methylbutanoate
CID 60816558
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491533
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate (CID 43405965) is methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cccc(NC(C)=O)c1)C(C)C.
What is the InChIKey of methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate?
The InChIKey is MZDRVEZSUCWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)13(15(20)21-4)17-14(19)11-6-5-7-12(8-11)16-10(3)18/h5-9,13H,1-4H3,(H,16,18)(H,17,19).
What are the key properties of methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate?
methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate has a molecular weight of 292.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 43405965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).