2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid

C19H27NO7 — CID 67651649

IUPAC2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
SMILESCCC(OC)(Oc1ccc(C(=O)C(C)NC(=O)OC(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C19H27NO7/c1-7-19(25-6,16(22)23)26-14-10-8-13(9-11-14)15(21)12(2)20-17(24)27-18(3,4)5/h8-12H,7H2,1-6H3,(H,20,24)(H,22,23)
InChIKeyWTZMVNZYQVCLSR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.00
Rot. Bonds8

About 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid

2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid (PubChem CID 67651649) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
PubChem CID67651649
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
SMILESCCC(OC)(Oc1ccc(C(=O)C(C)NC(=O)OC(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C19H27NO7/c1-7-19(25-6,16(22)23)26-14-10-8-13(9-11-14)15(21)12(2)20-17(24)27-18(3,4)5/h8-12H,7H2,1-6H3,(H,20,24)(H,22,23)
InChIKeyWTZMVNZYQVCLSR-UHFFFAOYSA-N
XLogP3.00
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
CID 67649747
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
ethyl 2-[4-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetate
CID 54020369
tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate
CID 165465733
(1-hydroxy-2-methylpropan-2-yl) N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 177395488
2-[4-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]phenoxy]acetic acid
CID 18393868
(2R)-2-[4-(1-ethoxy-1-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 68618449
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
(4-carbamoylphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102072735
(2R)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 71508449
tert-butyl N-[(2S)-1-(5-methylthiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468160

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid?
The IUPAC name of 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid (CID 67651649) is 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid.
What is the SMILES notation for 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid?
The canonical SMILES for 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid is CCC(OC)(Oc1ccc(C(=O)C(C)NC(=O)OC(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid?
The InChIKey is WTZMVNZYQVCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-7-19(25-6,16(22)23)26-14-10-8-13(9-11-14)15(21)12(2)20-17(24)27-18(3,4)5/h8-12H,7H2,1-6H3,(H,20,24)(H,22,23).
What are the key properties of 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid?
2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid has a molecular weight of 381.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid is sourced from PubChem (CID 67651649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).