4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid

C10H18N2O3 — CID 107530324

IUPAC4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C10H18N2O3/c1-12(6-2-3-10(14)15)7-8-4-5-9(13)11-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyNEQLIRMTXRFZEG-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds6

About 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid

4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid (PubChem CID 107530324) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid
PubChem CID107530324
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)CC1CCC(=O)N1
InChIInChI=1S/C10H18N2O3/c1-12(6-2-3-10(14)15)7-8-4-5-9(13)11-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyNEQLIRMTXRFZEG-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]propanoic acid
CID 107530300
2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
CID 107530443
3-[4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]anilino]propanoic acid
CID 107530294
2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
CID 107530306
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
CID 107530385
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
CID 167201325
(5R)-5-[[(2-methoxy-4-methylphenyl)methyl-methylamino]methyl]pyrrolidin-2-one
CID 171489543
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid (CID 107530324) is 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid is CN(CCCC(=O)O)CC1CCC(=O)N1.
What is the InChIKey of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid?
The InChIKey is NEQLIRMTXRFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12(6-2-3-10(14)15)7-8-4-5-9(13)11-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid?
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 107530324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).