2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid

C15H22N2O4 — CID 65057445

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-11(2)17(9-15(19)20)8-12-4-6-13(7-5-12)21-10-14(16)18/h4-7,11H,3,8-10H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyLVSDYIZNPDZMTO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.24
Rot. Bonds9

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid

2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid (PubChem CID 65057445) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
PubChem CID65057445
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-11(2)17(9-15(19)20)8-12-4-6-13(7-5-12)21-10-14(16)18/h4-7,11H,3,8-10H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyLVSDYIZNPDZMTO-UHFFFAOYSA-N
XLogP1.24
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65057880
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
CID 62682748
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[butan-2-yl-[(3,5-dichlorophenyl)methyl]amino]acetic acid
CID 65057535
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid (CID 65057445) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)Cc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid?
The InChIKey is LVSDYIZNPDZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-11(2)17(9-15(19)20)8-12-4-6-13(7-5-12)21-10-14(16)18/h4-7,11H,3,8-10H2,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid?
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid is sourced from PubChem (CID 65057445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).