3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid

C14H21NO3 — CID 104644544

IUPAC3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1ccccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,3)10-7-5-6-8-11(10)15-9-14(4,18)12(16)17/h5-8,15,18H,9H2,1-4H3,(H,16,17)
InChIKeyINMIGYOLDKEUCD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds4

About 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid

3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644544) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
PubChem CID104644544
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1ccccc1C(C)(C)C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,3)10-7-5-6-8-11(10)15-9-14(4,18)12(16)17/h5-8,15,18H,9H2,1-4H3,(H,16,17)
InChIKeyINMIGYOLDKEUCD-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
3-(2-cyano-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 107799451
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid (CID 104644544) is 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNc1ccccc1C(C)(C)C)C(=O)O.
What is the InChIKey of 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is INMIGYOLDKEUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2,3)10-7-5-6-8-11(10)15-9-14(4,18)12(16)17/h5-8,15,18H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid?
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).