2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid

C14H20N2O4 — CID 63746200

IUPAC2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-10(15)14(19)16-11-5-3-4-6-12(11)20-8-13(17)18/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyFMLFCDUYSMDWMP-JTQLQIEISA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid

2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid (PubChem CID 63746200) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
PubChem CID63746200
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-10(15)14(19)16-11-5-3-4-6-12(11)20-8-13(17)18/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyFMLFCDUYSMDWMP-JTQLQIEISA-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
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[2-(2-methylpentanoylamino)phenoxy]acetic acid
CID 63745685
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid (CID 63746200) is 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid is CC(C)C[C@H](N)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid?
The InChIKey is FMLFCDUYSMDWMP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)7-10(15)14(19)16-11-5-3-4-6-12(11)20-8-13(17)18/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid?
2-[2-[[(2S)-2-amino-4-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-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63746200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).