methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate

C15H18N2O6 — CID 9278082

IUPACmethyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C15H18N2O6/c1-22-15(21)10(8-18)16-13(19)6-7-17-11-4-2-3-5-12(11)23-9-14(17)20/h2-5,10,18H,6-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyZDCIVYILUHLFDL-SNVBAGLBSA-N
MW322.32 g/mol
LogP-0.55
Rot. Bonds6

About methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate

methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate (PubChem CID 9278082) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
PubChem CID9278082
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Namemethyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C15H18N2O6/c1-22-15(21)10(8-18)16-13(19)6-7-17-11-4-2-3-5-12(11)23-9-14(17)20/h2-5,10,18H,6-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyZDCIVYILUHLFDL-SNVBAGLBSA-N
XLogP-0.55
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate 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

N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
N-[(2S)-1-aminopropan-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 120504850
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9264232
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9478461
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
N-(1-aminohexan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119668071
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35235363
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737385
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
N-[(3,4-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17462579

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate (CID 9278082) is methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate is COC(=O)[C@@H](CO)NC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate?
The InChIKey is ZDCIVYILUHLFDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-22-15(21)10(8-18)16-13(19)6-7-17-11-4-2-3-5-12(11)23-9-14(17)20/h2-5,10,18H,6-9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate?
methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate has a molecular weight of 322.32 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate is sourced from PubChem (CID 9278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).