2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid

C14H19NO3 — CID 112633963

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
SMILESCC1(C)C(O)CC1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2)10(8-11(14)16)15-12(13(17)18)9-6-4-3-5-7-9/h3-7,10-12,15-16H,8H2,1-2H3,(H,17,18)
InChIKeyVWTHDNMFGBOYJD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds4

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid (PubChem CID 112633963) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
PubChem CID112633963
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
SMILESCC1(C)C(O)CC1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2)10(8-11(14)16)15-12(13(17)18)9-6-4-3-5-7-9/h3-7,10-12,15-16H,8H2,1-2H3,(H,17,18)
InChIKeyVWTHDNMFGBOYJD-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633286
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633243
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
CID 62108990
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid (CID 112633963) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid is CC1(C)C(O)CC1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid?
The InChIKey is VWTHDNMFGBOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2)10(8-11(14)16)15-12(13(17)18)9-6-4-3-5-7-9/h3-7,10-12,15-16H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 112633963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).