(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid

C15H19NO7 — CID 24798225

IUPAC(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid
SMILESCC(C)C(OC(=O)N[C@H](CO)C(=O)O)OC(=O)c1ccccc1
InChIInChI=1S/C15H19NO7/c1-9(2)14(22-13(20)10-6-4-3-5-7-10)23-15(21)16-11(8-17)12(18)19/h3-7,9,11,14,17H,8H2,1-2H3,(H,16,21)(H,18,19)/t11-,14?/m1/s1
InChIKeyLVVXGEKGVPGRJP-YNODCEANSA-N
MW325.32 g/mol
LogP1.00
Rot. Bonds7

About (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid

(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid (PubChem CID 24798225) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid
PubChem CID24798225
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid
SMILESCC(C)C(OC(=O)N[C@H](CO)C(=O)O)OC(=O)c1ccccc1
InChIInChI=1S/C15H19NO7/c1-9(2)14(22-13(20)10-6-4-3-5-7-10)23-15(21)16-11(8-17)12(18)19/h3-7,9,11,14,17H,8H2,1-2H3,(H,16,21)(H,18,19)/t11-,14?/m1/s1
InChIKeyLVVXGEKGVPGRJP-YNODCEANSA-N
XLogP1.00
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid 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

(2R)-3-hydroxy-2-[1-(2-methylbenzoyl)oxyethoxycarbonylamino]propanoic acid
CID 68514052
(2S)-2-(benzoyloxycarbonylamino)-4-methylpentanoic acid
CID 101027810
4-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-4-(4-chlorophenyl)butanoic acid
CID 66842256
4-(1-benzoyloxy-2-methylpropoxy)-4-oxobut-2-enoic acid
CID 123762237
acetic acid;[2-methyl-1-[(1-methylcyclohexyl)methylcarbamoyloxy]propyl] benzoate
CID 66584300
2-[1-[[(1-benzoyloxy-2-methylpropoxy)carbonylamino]methyl]cyclohexyl]acetic acid
CID 11959210
methyl benzoate;2-methylpropan-1-ol
CID 69407319
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
methyl benzoate;propane-1,2,3-triol
CID 141209730
[1-[[1-(4-chlorophenyl)-4-oxo-4-phenylmethoxybutyl]carbamoyloxy]-2-methylpropyl] benzoate
CID 66754059
3-benzoyloxy-4,5,5-trimethylhexanoic acid
CID 174419659
3-hydroxy-2-[2-(2-methylbenzoyl)oxyethoxycarbonylamino]propanoic acid
CID 69029736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid (CID 24798225) is (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid is CC(C)C(OC(=O)N[C@H](CO)C(=O)O)OC(=O)c1ccccc1.
What is the InChIKey of (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid?
The InChIKey is LVVXGEKGVPGRJP-YNODCEANSA-N. The full InChI is InChI=1S/C15H19NO7/c1-9(2)14(22-13(20)10-6-4-3-5-7-10)23-15(21)16-11(8-17)12(18)19/h3-7,9,11,14,17H,8H2,1-2H3,(H,16,21)(H,18,19)/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid has a molecular weight of 325.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-benzoyloxy-2-methylpropoxy)carbonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 24798225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).