2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid

C9H16N2O3 — CID 115581972

IUPAC2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
SMILESO=C(O)CNCCC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c12-8(11-5-1-2-6-11)3-4-10-7-9(13)14/h10H,1-7H2,(H,13,14)
InChIKeyIGWNCQBPXHOKNX-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds5

About 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid

2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid (PubChem CID 115581972) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
PubChem CID115581972
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
SMILESO=C(O)CNCCC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c12-8(11-5-1-2-6-11)3-4-10-7-9(13)14/h10H,1-7H2,(H,13,14)
InChIKeyIGWNCQBPXHOKNX-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
CID 166263523
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-cyclopropyl-N-ethyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 112685260
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid (CID 115581972) is 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid is O=C(O)CNCCC(=O)N1CCCC1.
What is the InChIKey of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid?
The InChIKey is IGWNCQBPXHOKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(11-5-1-2-6-11)3-4-10-7-9(13)14/h10H,1-7H2,(H,13,14).
What are the key properties of 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid?
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid is sourced from PubChem (CID 115581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).