2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid

C11H14ClNO3 — CID 82478288

IUPAC2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1ccc(C(N)C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-6(2)16-9-4-3-7(5-8(9)12)10(13)11(14)15/h3-6,10H,13H2,1-2H3,(H,14,15)
InChIKeyLPWALDIFMFDOKZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid

2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid (PubChem CID 82478288) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
PubChem CID82478288
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
SMILESCC(C)Oc1ccc(C(N)C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-6(2)16-9-4-3-7(5-8(9)12)10(13)11(14)15/h3-6,10H,13H2,1-2H3,(H,14,15)
InChIKeyLPWALDIFMFDOKZ-UHFFFAOYSA-N
XLogP2.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421
2-amino-2-[3-chloro-4-(thietan-3-yloxy)phenyl]acetic acid
CID 117437097
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
CID 10542024
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117458481
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
CID 83893924
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid (CID 82478288) is 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid is CC(C)Oc1ccc(C(N)C(=O)O)cc1Cl.
What is the InChIKey of 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid?
The InChIKey is LPWALDIFMFDOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6(2)16-9-4-3-7(5-8(9)12)10(13)11(14)15/h3-6,10H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid?
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid has a molecular weight of 243.69 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 82478288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).