5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid

C10H18N2O3 — CID 61462313

IUPAC5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCC(NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-12-6-5-8(7-12)11-9(13)3-2-4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeySPOBNMIMTBDLBY-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds5

About 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid

5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid (PubChem CID 61462313) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
PubChem CID61462313
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCC(NC(=O)CCCC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-12-6-5-8(7-12)11-9(13)3-2-4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeySPOBNMIMTBDLBY-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid (CID 61462313) is 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid is CN1CCC(NC(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is SPOBNMIMTBDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12-6-5-8(7-12)11-9(13)3-2-4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61462313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).