methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate

C19H24N2O7 — CID 55506554

IUPACmethyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H24N2O7/c1-11(2)9-13(18(24)26-4)20-16(22)10-27-17(23)12(3)21-14-7-5-6-8-15(14)28-19(21)25/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyHQMZZZQCXSPCFS-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.40
Rot. Bonds8

About methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate (PubChem CID 55506554) has the molecular formula C19H24N2O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate
PubChem CID55506554
Molecular FormulaC19H24N2O7
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Namemethyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H24N2O7/c1-11(2)9-13(18(24)26-4)20-16(22)10-27-17(23)12(3)21-14-7-5-6-8-15(14)28-19(21)25/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyHQMZZZQCXSPCFS-UHFFFAOYSA-N
XLogP1.40
TPSA116.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate 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

[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290334
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 9201548
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55562742
[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 95173634
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841113
methyl 4-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]pentanoate
CID 51072605
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55531516
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate (CID 55506554) is methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)COC(=O)C(C)n1c(=O)oc2ccccc21.
What is the InChIKey of methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate?
The InChIKey is HQMZZZQCXSPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O7/c1-11(2)9-13(18(24)26-4)20-16(22)10-27-17(23)12(3)21-14-7-5-6-8-15(14)28-19(21)25/h5-8,11-13H,9-10H2,1-4H3,(H,20,22).
What are the key properties of methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate has a molecular weight of 392.41 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxy]acetyl]amino]pentanoate is sourced from PubChem (CID 55506554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).