2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid

C12H17NO3 — CID 43754261

IUPAC2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-8(2)13-12(3,11(15)16)9-4-6-10(14)7-5-9/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyIQTPOIDUNSWJMA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid

2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid (PubChem CID 43754261) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
PubChem CID43754261
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-8(2)13-12(3,11(15)16)9-4-6-10(14)7-5-9/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyIQTPOIDUNSWJMA-UHFFFAOYSA-N
XLogP1.69
TPSA69.56 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 ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(cyclopropylamino)-2-(4-hydroxyphenyl)propanoic acid
CID 43754473
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
CID 107707483
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid (CID 43754261) is 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(C)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is IQTPOIDUNSWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)13-12(3,11(15)16)9-4-6-10(14)7-5-9/h4-8,13-14H,1-3H3,(H,15,16).
What are the key properties of 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid?
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 43754261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).