4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 61208817

IUPAC4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCC1CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9-5-4-8-13(9)11(16)12-7-3-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyUNVZDLIUEDWNNQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds5

About 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid

4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 61208817) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID61208817
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCC1CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-9-5-4-8-13(9)11(16)12-7-3-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyUNVZDLIUEDWNNQ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021378

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 61208817) is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid is CCC1CCCN1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is UNVZDLIUEDWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-9-5-4-8-13(9)11(16)12-7-3-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid?
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61208817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).