2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid

C12H17NO3 — CID 66205949

IUPAC2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C(O)C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-7(2)8-3-5-9(6-4-8)11(14)10(13)12(15)16/h3-7,10-11,14H,13H2,1-2H3,(H,15,16)
InChIKeyMMPKFEONRJBDMX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid

2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 66205949) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID66205949
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C(O)C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-7(2)8-3-5-9(6-4-8)11(14)10(13)12(15)16/h3-7,10-11,14H,13H2,1-2H3,(H,15,16)
InChIKeyMMPKFEONRJBDMX-UHFFFAOYSA-N
XLogP1.26
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
(2S,3R)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid
CID 67747060
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
sodium;(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;hydride
CID 173371497
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
CID 131186284
ethyl 2-[hydroxy-(4-propan-2-ylphenyl)methyl]-3-methylbutanoate
CID 62398184

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid (CID 66205949) is 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(C(O)C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is MMPKFEONRJBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7(2)8-3-5-9(6-4-8)11(14)10(13)12(15)16/h3-7,10-11,14H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 66205949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).