2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid

C14H20N2O4 — CID 63745357

IUPAC2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
SMILESCCC(C)C(N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-9(2)13(15)14(19)16-10-6-4-5-7-11(10)20-8-12(17)18/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyTVASOLYFTBNSOM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid

2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid (PubChem CID 63745357) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
PubChem CID63745357
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
SMILESCCC(C)C(N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-9(2)13(15)14(19)16-10-6-4-5-7-11(10)20-8-12(17)18/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyTVASOLYFTBNSOM-UHFFFAOYSA-N
XLogP1.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid (CID 63745357) is 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid is CCC(C)C(N)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid?
The InChIKey is TVASOLYFTBNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-9(2)13(15)14(19)16-10-6-4-5-7-11(10)20-8-12(17)18/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid?
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63745357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).