2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid

C14H20N2O2 — CID 117004183

IUPAC2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid
SMILESCc1cc(C)cc(N2CCC(NCC(=O)O)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-11(2)7-13(6-10)16-4-3-12(9-16)15-8-14(17)18/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyMKAMUZWHKMCAJY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds4

About 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid

2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid (PubChem CID 117004183) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid
PubChem CID117004183
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid
SMILESCc1cc(C)cc(N2CCC(NCC(=O)O)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-11(2)7-13(6-10)16-4-3-12(9-16)15-8-14(17)18/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyMKAMUZWHKMCAJY-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethylpyrrolidin-3-amine
CID 43315457
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
2-[[1-(3,5-dimethylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004784
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
methyl 3-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981853
3-[[1-(2-bromo-4-methylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004302
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid (CID 117004183) is 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid is Cc1cc(C)cc(N2CCC(NCC(=O)O)C2)c1.
What is the InChIKey of 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is MKAMUZWHKMCAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-11(2)7-13(6-10)16-4-3-12(9-16)15-8-14(17)18/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid?
2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 117004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).