2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid

C13H23N3O3 — CID 79320053

IUPAC2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCN(CC1CCCN1C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-14-5-3-4-11(14)9-15(2)13(19)16-7-10(8-16)6-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIMXHMRVCNXQXNJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.54
Rot. Bonds4

About 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid

2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 79320053) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
PubChem CID79320053
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCN(CC1CCCN1C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-14-5-3-4-11(14)9-15(2)13(19)16-7-10(8-16)6-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIMXHMRVCNXQXNJ-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 63209312
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
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425707
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79315110

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid (CID 79320053) is 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is CN(CC1CCCN1C)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is IMXHMRVCNXQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14-5-3-4-11(14)9-15(2)13(19)16-7-10(8-16)6-12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 79320053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).