2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid

C13H19NO3 — CID 103256512

IUPAC2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
SMILESCC(C)C(CO)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-9(2)11(8-15)14-12(13(16)17)10-6-4-3-5-7-10/h3-7,9,11-12,14-15H,8H2,1-2H3,(H,16,17)
InChIKeyARYFKGAMNQZXQU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds6

About 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid

2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid (PubChem CID 103256512) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
PubChem CID103256512
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
SMILESCC(C)C(CO)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-9(2)11(8-15)14-12(13(16)17)10-6-4-3-5-7-10/h3-7,9,11-12,14-15H,8H2,1-2H3,(H,16,17)
InChIKeyARYFKGAMNQZXQU-UHFFFAOYSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[carboxy(phenyl)methyl]amino]-2-deuterio-3-fluoropropanoic acid
CID 22792267
2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid
CID 103260843
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
CID 103950866
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
CID 62109514
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid (CID 103256512) is 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid is CC(C)C(CO)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid?
The InChIKey is ARYFKGAMNQZXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)11(8-15)14-12(13(16)17)10-6-4-3-5-7-10/h3-7,9,11-12,14-15H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid?
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103256512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).