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

C10H19N3O3 — CID 106020947

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CCCN1C
InChIInChI=1S/C10H19N3O3/c1-12-5-3-4-8(12)6-11-10(16)13(2)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyATPVLCDWCYUBJJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.19
Rot. Bonds4

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

2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106020947) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106020947
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CCCN1C
InChIInChI=1S/C10H19N3O3/c1-12-5-3-4-8(12)6-11-10(16)13(2)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyATPVLCDWCYUBJJ-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
3-hydroxy-3-methyl-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79319597
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106019327
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid (CID 106020947) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)NCC1CCCN1C.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is ATPVLCDWCYUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12-5-3-4-8(12)6-11-10(16)13(2)7-9(14)15/h8H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid?
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106020947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).