7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid

C14H26N2O3 — CID 61207841

IUPAC7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
SMILESCCC1CCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-12-8-7-11-16(12)14(19)15-10-6-4-3-5-9-13(17)18/h12H,2-11H2,1H3,(H,15,19)(H,17,18)
InChIKeyBPBFVLUXXSEIBU-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.61
Rot. Bonds8

About 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid

7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid (PubChem CID 61207841) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
PubChem CID61207841
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
SMILESCCC1CCCN1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-12-8-7-11-16(12)14(19)15-10-6-4-3-5-9-13(17)18/h12H,2-11H2,1H3,(H,15,19)(H,17,18)
InChIKeyBPBFVLUXXSEIBU-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
4-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022100
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid (CID 61207841) is 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid is CCC1CCCN1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid?
The InChIKey is BPBFVLUXXSEIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-12-8-7-11-16(12)14(19)15-10-6-4-3-5-9-13(17)18/h12H,2-11H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid?
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 61207841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).