2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid

C15H22N2O4 — CID 123728307

IUPAC2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOC(CNC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,13(18)19)17(3)14(20)16-10-12(21-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyDNINQQBQJKLQRS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds6

About 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 123728307) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID123728307
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOC(CNC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,13(18)19)17(3)14(20)16-10-12(21-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyDNINQQBQJKLQRS-UHFFFAOYSA-N
XLogP1.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]ethyl]carbamate
CID 95145487
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-methoxy-2-phenylethyl)urea
CID 109389686
1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
3-methoxy-3-phenylpropanoic acid
CID 13379217

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 123728307) is 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid is COC(CNC(=O)N(C)C(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is DNINQQBQJKLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,13(18)19)17(3)14(20)16-10-12(21-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-phenylethyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 123728307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).