2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid

C17H24N2O5 — CID 134541445

IUPAC2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNC(C)(C)CC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,18-10-14(20)19(3)11-15(21)22)9-16(23)24-12-13-7-5-4-6-8-13/h4-8,18H,9-12H2,1-3H3,(H,21,22)
InChIKeyXFELICFQKONODV-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.03
Rot. Bonds9

About 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid

2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 134541445) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid
PubChem CID134541445
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CNC(C)(C)CC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,18-10-14(20)19(3)11-15(21)22)9-16(23)24-12-13-7-5-4-6-8-13/h4-8,18H,9-12H2,1-3H3,(H,21,22)
InChIKeyXFELICFQKONODV-UHFFFAOYSA-N
XLogP1.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-[[3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopropyl]amino]acetyl]amino]acetic acid
CID 138694680
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
benzyl 4-amino-3,3-dimethyl-4-oxobutanoate
CID 160826290
benzyl 3,3,4-trimethylpentanoate
CID 162413973
benzyl 3,3-dimethoxybutanoate
CID 134185532
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 3,3-dimethylpent-4-enoate
CID 13236797
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid (CID 134541445) is 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)CNC(C)(C)CC(=O)OCc1ccccc1.
What is the InChIKey of 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is XFELICFQKONODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,18-10-14(20)19(3)11-15(21)22)9-16(23)24-12-13-7-5-4-6-8-13/h4-8,18H,9-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid?
2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 134541445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).