2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid

C10H17F2NO2 — CID 167948584

IUPAC2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)13(6-9(14)15)5-8-3-10(11,12)4-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAQARGVNTTRKALQ-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.83
Rot. Bonds5

About 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid

2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid (PubChem CID 167948584) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
PubChem CID167948584
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)13(6-9(14)15)5-8-3-10(11,12)4-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAQARGVNTTRKALQ-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
CID 107133659
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839498

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid (CID 167948584) is 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is AQARGVNTTRKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)13(6-9(14)15)5-8-3-10(11,12)4-8/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid?
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 221.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 167948584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).