2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

C16H23NO5 — CID 106489417

IUPAC2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCOCC(CNC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-10-16(11-21-4,13(18)19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNOXOGMXBWLSHSA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.18
Rot. Bonds6

About 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (PubChem CID 106489417) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
PubChem CID106489417
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCOCC(CNC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-10-16(11-21-4,13(18)19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNOXOGMXBWLSHSA-UHFFFAOYSA-N
XLogP2.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106509443
(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-2-phenylpropanoic acid
CID 125456016
tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
CID 67266052
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl N-[2-(hydroxymethyl)-2-phenylhexyl]carbamate
CID 106508166
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
tert-butyl N-(5-methyl-2,2-diphenylhex-4-enyl)carbamate;5-methyl-2,2-diphenylhex-4-en-1-amine
CID 161106850
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
tert-butyl N-(2-benzylsulfanyl-2-methylpropyl)carbamate
CID 67723796
methyl 3-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]benzoate
CID 161118645

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The IUPAC name of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (CID 106489417) is 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The canonical SMILES for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is COCC(CNC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The InChIKey is NOXOGMXBWLSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-10-16(11-21-4,13(18)19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 106489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).