3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid

C11H18N2O3 — CID 62231885

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(5-11(15)16)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyONIZMHIRWHTOKE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds5

About 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid (PubChem CID 62231885) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
PubChem CID62231885
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(5-11(15)16)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyONIZMHIRWHTOKE-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60856813
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854841
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
2-hydroxyethyl N-[(1-cyclopropylpyrrolidin-3-yl)methyl]carbamate
CID 79348875

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid (CID 62231885) is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid is O=C(O)CC(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid?
The InChIKey is ONIZMHIRWHTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(5-11(15)16)12-6-8-3-4-13(7-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid?
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid has a molecular weight of 226.28 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 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid is sourced from PubChem (CID 62231885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).