2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid

C13H15ClFNO2 — CID 43656903

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1c(F)cccc1Cl)CC1CC1
InChIInChI=1S/C13H15ClFNO2/c14-11-2-1-3-12(15)10(11)7-16(8-13(17)18)6-9-4-5-9/h1-3,9H,4-8H2,(H,17,18)
InChIKeyZHUWPAQTZXCUCE-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.78
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656903) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656903
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1c(F)cccc1Cl)CC1CC1
InChIInChI=1S/C13H15ClFNO2/c14-11-2-1-3-12(15)10(11)7-16(8-13(17)18)6-9-4-5-9/h1-3,9H,4-8H2,(H,17,18)
InChIKeyZHUWPAQTZXCUCE-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-Chloro-4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3240174
2-{[(4-Chlorophenyl)methyl]amino}acetic acid hydrochloride
CID 24186629
(3-Chloro-benzylamino)-acetic acid
CID 427172
2-{[(2-Chloro-6-fluorophenyl)methyl]amino}propanoic acid hydrochloride
CID 42935506
2-(((2-Chlorophenyl)methyl)(ethyl)amino)acetic acid hydrochloride
CID 102555145
2-{[(3-Chloro-2-methylphenyl)methyl](prop-2-yn-1-yl)amino}acetic acid
CID 136573254
(s)-1-(2-Chloro-6-fluorobenzyl)pyrrolidine-2-carboxylic acid
CID 40466574
(2,6-Dichloro-benzylamino)-acetic acid
CID 3280562
2-[3-[(2-Chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]acetic acid
CID 20967125
Methyl 2-[(3-chloro-2-fluorophenyl)methyl-(cyanomethyl)amino]acetate
CID 91659951
2-[2-(4-Chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 100637475
(2S)-2-[(5-chloro-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 164633269

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid (CID 43656903) is 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(Cc1c(F)cccc1Cl)CC1CC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ZHUWPAQTZXCUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-11-2-1-3-12(15)10(11)7-16(8-13(17)18)6-9-4-5-9/h1-3,9H,4-8H2,(H,17,18).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 271.72 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).