2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid

C12H17NO3 — CID 117319672

IUPAC2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
SMILESCOC(C)Cc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(16-2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
InChIKeyGXVBMONVLLYPCX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid

2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid (PubChem CID 117319672) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
PubChem CID117319672
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
SMILESCOC(C)Cc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(16-2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
InChIKeyGXVBMONVLLYPCX-UHFFFAOYSA-N
XLogP1.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
2-amino-2-[4-(3-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 117115063
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid (CID 117319672) is 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid is COC(C)Cc1ccc(C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid?
The InChIKey is GXVBMONVLLYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(16-2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid?
2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid is sourced from PubChem (CID 117319672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).