3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid

C10H19N3O3 — CID 106021158

IUPAC3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
SMILESCN1CCCC1CNC(=O)NCCC(=O)O
InChIInChI=1S/C10H19N3O3/c1-13-6-2-3-8(13)7-12-10(16)11-5-4-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyKGCRITCMWJWIHN-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.15
Rot. Bonds5

About 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid

3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106021158) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID106021158
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
SMILESCN1CCCC1CNC(=O)NCCC(=O)O
InChIInChI=1S/C10H19N3O3/c1-13-6-2-3-8(13)7-12-10(16)11-5-4-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16)
InChIKeyKGCRITCMWJWIHN-UHFFFAOYSA-N
XLogP-0.15
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 106021011
4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 82014411
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
2,2-dimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]propanoic acid
CID 113308220
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
2,2-dimethyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 106019819

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid (CID 106021158) is 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid is CN1CCCC1CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is KGCRITCMWJWIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13-6-2-3-8(13)7-12-10(16)11-5-4-9(14)15/h8H,2-7H2,1H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid?
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106021158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).