2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid

C14H20N2O4 — CID 20562428

IUPAC2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCCC(C)C(N)C(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-8(2)11(15)13(18)16-12(14(19)20)9-4-6-10(17)7-5-9/h4-8,11-12,17H,3,15H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZLDDCKOFGFKTMF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.01
Rot. Bonds6

About 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid

2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 20562428) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID20562428
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCCC(C)C(N)C(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-8(2)11(15)13(18)16-12(14(19)20)9-4-6-10(17)7-5-9/h4-8,11-12,17H,3,15H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZLDDCKOFGFKTMF-UHFFFAOYSA-N
XLogP1.01
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 61173060
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288733
3-[[2-[(2-amino-3-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 18501880
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 145456091
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18297774
2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoic acid
CID 18221944
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
4-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
CID 22702021

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid (CID 20562428) is 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid is CCC(C)C(N)C(=O)NC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is ZLDDCKOFGFKTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-8(2)11(15)13(18)16-12(14(19)20)9-4-6-10(17)7-5-9/h4-8,11-12,17H,3,15H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid?
2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 20562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).