methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate

C15H20ClNO5 — CID 67268964

IUPACmethyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](COC(C)CCl)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20ClNO5/c1-11(8-16)21-10-13(14(18)20-2)17-15(19)22-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)/t11?,13-/m1/s1
InChIKeyQKAXVMCPOMRXRQ-GLGOKHISSA-N
MW329.78 g/mol
LogP2.10
Rot. Bonds8

About methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate

methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 67268964) has the molecular formula C15H20ClNO5 and a molecular weight of 329.78 g/mol. Its IUPAC name is methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID67268964
Molecular FormulaC15H20ClNO5
Molecular Weight329.78 g/mol
Exact Mass329.10
IUPAC Namemethyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](COC(C)CCl)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20ClNO5/c1-11(8-16)21-10-13(14(18)20-2)17-15(19)22-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)/t11?,13-/m1/s1
InChIKeyQKAXVMCPOMRXRQ-GLGOKHISSA-N
XLogP2.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)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

methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 11312025
methyl (2S)-3-(2,2-dimethylpropoxy)-2-(phenylmethoxycarbonylamino)propanoate
CID 69349416
methyl (2S)-3-carbonochloridoyloxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 165342342
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
CID 11426371
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate (CID 67268964) is methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@@H](COC(C)CCl)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is QKAXVMCPOMRXRQ-GLGOKHISSA-N. The full InChI is InChI=1S/C15H20ClNO5/c1-11(8-16)21-10-13(14(18)20-2)17-15(19)22-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)/t11?,13-/m1/s1.
What are the key properties of methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 329.78 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1-chloropropan-2-yloxy)-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 67268964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).