5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid

C12H22N2O3 — CID 103262840

IUPAC5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
SMILESCC(NCCCCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-10(12(17)14-8-4-5-9-14)13-7-3-2-6-11(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyXUACGTHLMWTJHR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds7

About 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid

5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid (PubChem CID 103262840) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
PubChem CID103262840
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
SMILESCC(NCCCCC(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-10(12(17)14-8-4-5-9-14)13-7-3-2-6-11(15)16/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyXUACGTHLMWTJHR-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
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

2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 113323218
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372

Frequently Asked Questions

What is the IUPAC name of 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid (CID 103262840) is 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid is CC(NCCCCC(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid?
The InChIKey is XUACGTHLMWTJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(12(17)14-8-4-5-9-14)13-7-3-2-6-11(15)16/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid?
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 103262840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).