2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid

C9H16N2O3 — CID 79315922

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
SMILESCN(CC1CCCN1C)C(=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-10-5-3-4-7(10)6-11(2)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDOOVURLWCQAYLP-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.38
Rot. Bonds2

About 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid (PubChem CID 79315922) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
PubChem CID79315922
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
SMILESCN(CC1CCCN1C)C(=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-10-5-3-4-7(10)6-11(2)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDOOVURLWCQAYLP-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79314488
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 79320053
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 79319754
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 79312719

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid (CID 79315922) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid is CN(CC1CCCN1C)C(=O)C(=O)O.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid?
The InChIKey is DOOVURLWCQAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10-5-3-4-7(10)6-11(2)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid?
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 79315922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).