2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid

C11H20N2O2 — CID 106020198

IUPAC2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
SMILESCN1CCCC1CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O2/c1-13-6-2-3-9(13)7-12-10(11(14)15)8-4-5-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyCXDMMZDHTSONDS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds5

About 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid

2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid (PubChem CID 106020198) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
PubChem CID106020198
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
SMILESCN1CCCC1CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O2/c1-13-6-2-3-9(13)7-12-10(11(14)15)8-4-5-8/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyCXDMMZDHTSONDS-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
CID 106020216
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106024172
methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106020245
1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115676562
1-cyclopropyl-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115712574
1-cyclobutyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 115712523
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697174
methyl (2S)-3-methyl-2-[(1-methylpiperidin-2-yl)methylamino]butanoate
CID 55099753

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid (CID 106020198) is 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid is CN1CCCC1CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid?
The InChIKey is CXDMMZDHTSONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-6-2-3-9(13)7-12-10(11(14)15)8-4-5-8/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid is sourced from PubChem (CID 106020198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).