2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C19H27NO6 — CID 59389171

IUPAC2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc(COCC2(C(NC(=O)OC(C)(C)C)C(=O)O)CC2)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-15(16(21)22)19(9-10-19)12-25-11-13-5-7-14(24-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyZPAHRHNNPTXLHL-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.97
Rot. Bonds8

About 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 59389171) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID59389171
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccc(COCC2(C(NC(=O)OC(C)(C)C)C(=O)O)CC2)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-15(16(21)22)19(9-10-19)12-25-11-13-5-7-14(24-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyZPAHRHNNPTXLHL-UHFFFAOYSA-N
XLogP2.97
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

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Related Compounds

(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
tert-butyl N-[1-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamate
CID 73030796
(2R)-6-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 166665028
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
tert-butyl N-[1-cyano-3-(4-methoxyphenyl)propan-2-yl]carbamate
CID 135255227
(2R)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 71508449
2-(4-methoxyphenyl)ethylazanide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
CID 131716192
methyl (3S)-4-[4-(4-methoxyphenyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101408029
(2S,3R)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid;(2R,3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 159273376
(2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14110515
1-O-cyclopentyl 5-O-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 57128737

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 59389171) is 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is COc1ccc(COCC2(C(NC(=O)OC(C)(C)C)C(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is ZPAHRHNNPTXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-15(16(21)22)19(9-10-19)12-25-11-13-5-7-14(24-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 365.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methoxymethyl]cyclopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 59389171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).