methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate

C15H21NO4 — CID 10660316

IUPACmethyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)[C@@H](O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)9-12(17)14(18)16-13(15(19)20-3)11-7-5-4-6-8-11/h4-8,10,12-13,17H,9H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMRLBJETULHTAMT-QWHCGFSZSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds6

About methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate

methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate (PubChem CID 10660316) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
PubChem CID10660316
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)[C@@H](O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-10(2)9-12(17)14(18)16-13(15(19)20-3)11-7-5-4-6-8-11/h4-8,10,12-13,17H,9H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMRLBJETULHTAMT-QWHCGFSZSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]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

methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
methyl 2-(2-methylsulfonylpropanoylamino)-2-phenylacetate
CID 115624418
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate (CID 10660316) is methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)[C@@H](O)CC(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate?
The InChIKey is MRLBJETULHTAMT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)9-12(17)14(18)16-13(15(19)20-3)11-7-5-4-6-8-11/h4-8,10,12-13,17H,9H2,1-3H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate?
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate has a molecular weight of 279.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate is sourced from PubChem (CID 10660316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).