2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid

C14H20N2O3 — CID 61158432

IUPAC2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
SMILESCCCC(C)(N)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-9-14(2,15)13(19)16-11(12(17)18)10-7-5-4-6-8-10/h4-8,11H,3,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZVBFWTRRNCDHMO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid

2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid (PubChem CID 61158432) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
PubChem CID61158432
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
SMILESCCCC(C)(N)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-9-14(2,15)13(19)16-11(12(17)18)10-7-5-4-6-8-10/h4-8,11H,3,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZVBFWTRRNCDHMO-UHFFFAOYSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
CID 62845633
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-2-methylpentanamide
CID 61251717
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
2-amino-N-(2,3-diphenylpropyl)-2-methylpentanamide
CID 119803980
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid (CID 61158432) is 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid is CCCC(C)(N)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid?
The InChIKey is ZVBFWTRRNCDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-9-14(2,15)13(19)16-11(12(17)18)10-7-5-4-6-8-10/h4-8,11H,3,9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid?
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61158432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).