amino 2-(2-oxopyrrolidin-1-yl)pentanoate

C9H16N2O3 — CID 90161932

IUPACamino 2-(2-oxopyrrolidin-1-yl)pentanoate
SMILESCCCC(C(=O)ON)N1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-4-7(9(13)14-10)11-6-3-5-8(11)12/h7H,2-6,10H2,1H3
InChIKeyKNGZPASLGDAREB-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.19
Rot. Bonds4

About amino 2-(2-oxopyrrolidin-1-yl)pentanoate

amino 2-(2-oxopyrrolidin-1-yl)pentanoate (PubChem CID 90161932) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is amino 2-(2-oxopyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Nameamino 2-(2-oxopyrrolidin-1-yl)pentanoate
PubChem CID90161932
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameamino 2-(2-oxopyrrolidin-1-yl)pentanoate
SMILESCCCC(C(=O)ON)N1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-4-7(9(13)14-10)11-6-3-5-8(11)12/h7H,2-6,10H2,1H3
InChIKeyKNGZPASLGDAREB-UHFFFAOYSA-N
XLogP0.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(2-oxopyrrolidin-1-yl)tetradecanoate
CID 70443541
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one
CID 70433877
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
2-(2-oxopyrrolidin-1-yl)dodecanoic acid
CID 57060081
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
1-[1-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)hexan-2-yl]pyrrolidin-2-one
CID 122202592

Frequently Asked Questions

What is the IUPAC name of amino 2-(2-oxopyrrolidin-1-yl)pentanoate?
The IUPAC name of amino 2-(2-oxopyrrolidin-1-yl)pentanoate (CID 90161932) is amino 2-(2-oxopyrrolidin-1-yl)pentanoate.
What is the SMILES notation for amino 2-(2-oxopyrrolidin-1-yl)pentanoate?
The canonical SMILES for amino 2-(2-oxopyrrolidin-1-yl)pentanoate is CCCC(C(=O)ON)N1CCCC1=O.
What is the InChIKey of amino 2-(2-oxopyrrolidin-1-yl)pentanoate?
The InChIKey is KNGZPASLGDAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-4-7(9(13)14-10)11-6-3-5-8(11)12/h7H,2-6,10H2,1H3.
What are the key properties of amino 2-(2-oxopyrrolidin-1-yl)pentanoate?
amino 2-(2-oxopyrrolidin-1-yl)pentanoate has a molecular weight of 200.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(2-oxopyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 90161932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).