2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid

C17H25NO4 — CID 119204807

IUPAC2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC(C)Cc1ccccc1OC
InChIInChI=1S/C17H25NO4/c1-4-9-18(12-17(20)21)16(19)11-13(2)10-14-7-5-6-8-15(14)22-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,21)
InChIKeySUKHSFPVGWCPQX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.59
Rot. Bonds9

About 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid

2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid (PubChem CID 119204807) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
PubChem CID119204807
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CC(C)Cc1ccccc1OC
InChIInChI=1S/C17H25NO4/c1-4-9-18(12-17(20)21)16(19)11-13(2)10-14-7-5-6-8-15(14)22-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,21)
InChIKeySUKHSFPVGWCPQX-UHFFFAOYSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
CID 54898573
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
4-(2-fluoro-3-methoxyphenyl)-3-methylbutanoic acid
CID 104795667

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid (CID 119204807) is 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CC(C)Cc1ccccc1OC.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid?
The InChIKey is SUKHSFPVGWCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-9-18(12-17(20)21)16(19)11-13(2)10-14-7-5-6-8-15(14)22-3/h5-8,13H,4,9-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid?
2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid is sourced from PubChem (CID 119204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).