4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid

C11H13ClFNO2 — CID 114489141

IUPAC4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO2/c1-6(14)8(5-10(15)16)7-3-2-4-9(12)11(7)13/h2-4,6,8H,5,14H2,1H3,(H,15,16)
InChIKeyCXZUJKMLWKGPQB-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid

4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid (PubChem CID 114489141) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
PubChem CID114489141
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
SMILESCC(N)C(CC(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO2/c1-6(14)8(5-10(15)16)7-3-2-4-9(12)11(7)13/h2-4,6,8H,5,14H2,1H3,(H,15,16)
InChIKeyCXZUJKMLWKGPQB-UHFFFAOYSA-N
XLogP2.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(3-chloro-2-fluorophenyl)hexanoic acid
CID 114489142
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
3-[3-chloro-2-(fluoromethyl)phenyl]butanoic acid
CID 84694038
4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 114488545
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid?
The IUPAC name of 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid (CID 114489141) is 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid is CC(N)C(CC(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid?
The InChIKey is CXZUJKMLWKGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-6(14)8(5-10(15)16)7-3-2-4-9(12)11(7)13/h2-4,6,8H,5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid?
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid has a molecular weight of 245.68 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid is sourced from PubChem (CID 114489141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).