2-[2-(2-aminobutanoylamino)phenoxy]acetic acid

C12H16N2O4 — CID 63745017

IUPAC2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
SMILESCCC(N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-8(13)12(17)14-9-5-3-4-6-10(9)18-7-11(15)16/h3-6,8H,2,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFZCAJZAZFCWXHW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.83
Rot. Bonds6

About 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid

2-[2-(2-aminobutanoylamino)phenoxy]acetic acid (PubChem CID 63745017) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
PubChem CID63745017
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
SMILESCCC(N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-8(13)12(17)14-9-5-3-4-6-10(9)18-7-11(15)16/h3-6,8H,2,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFZCAJZAZFCWXHW-UHFFFAOYSA-N
XLogP0.83
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid (CID 63745017) is 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid is CCC(N)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid?
The InChIKey is FZCAJZAZFCWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-8(13)12(17)14-9-5-3-4-6-10(9)18-7-11(15)16/h3-6,8H,2,7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid?
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63745017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).