methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate

C16H17NO4 — CID 95772953

IUPACmethyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1occc1C
InChIInChI=1S/C16H17NO4/c1-11-9-10-21-14(11)15(18)17(2)13(16(19)20-3)12-7-5-4-6-8-12/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeySJNCURRSFOTABN-CYBMUJFWSA-N
MW287.32 g/mol
LogP2.57
Rot. Bonds4

About methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate

methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate (PubChem CID 95772953) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate
PubChem CID95772953
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1occc1C
InChIInChI=1S/C16H17NO4/c1-11-9-10-21-14(11)15(18)17(2)13(16(19)20-3)12-7-5-4-6-8-12/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeySJNCURRSFOTABN-CYBMUJFWSA-N
XLogP2.57
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate 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-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate
CID 95980810
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylfuran-2-carboxamide
CID 76928329
N-[(1S)-1-cyclopropylethyl]-N,3-dimethylfuran-2-carboxamide
CID 94815272
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886
methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate
CID 18099042
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
dimethyl 2-[(dimethylcarbamoylamino)-phenylmethyl]propanedioate
CID 10638513

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate (CID 95772953) is methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1occc1C.
What is the InChIKey of methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is SJNCURRSFOTABN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-9-10-21-14(11)15(18)17(2)13(16(19)20-3)12-7-5-4-6-8-12/h4-10,13H,1-3H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate?
methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 287.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 95772953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).