2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid

C8H13F2NO2 — CID 60922416

IUPAC2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)F)CC1CC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)4-11(5-8(12)13)3-6-1-2-6/h6-7H,1-5H2,(H,12,13)
InChIKeyRHUOBVBFNSJXDT-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.05
Rot. Bonds6

About 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid

2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid (PubChem CID 60922416) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid
PubChem CID60922416
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)F)CC1CC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)4-11(5-8(12)13)3-6-1-2-6/h6-7H,1-5H2,(H,12,13)
InChIKeyRHUOBVBFNSJXDT-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 87845497
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129322031
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium
CID 172743144
2-[Cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 43655099
2-[Cyclopropylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43656564
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961926
2-[Cyclopropylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962224
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833696
2-[Cyclopropyl(2,2-difluoroethyl)amino]acetic acid
CID 60922951
2-[N-(cyclopropylmethyl)-2,2,2-trifluoroacetamido]acetic acid
CID 60999736
2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 63065927
2-[2,2-Difluoroethyl(2-methylpropyl)amino]acetic acid
CID 63066292

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid (CID 60922416) is 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid?
The InChIKey is RHUOBVBFNSJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-7(10)4-11(5-8(12)13)3-6-1-2-6/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid?
2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid has a molecular weight of 193.19 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2,2-difluoroethyl)amino]acetic acid is sourced from PubChem (CID 60922416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).