4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid

C15H28N2O4 — CID 115965821

IUPAC4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)N1CCC(CO)C1)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-3-12(4-5-14(19)20)6-8-16-15(21)17-9-7-13(10-17)11-18/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyYDQNWWARQLHTCY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.68
Rot. Bonds9

About 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid

4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid (PubChem CID 115965821) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
PubChem CID115965821
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)N1CCC(CO)C1)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-2-3-12(4-5-14(19)20)6-8-16-15(21)17-9-7-13(10-17)11-18/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyYDQNWWARQLHTCY-UHFFFAOYSA-N
XLogP1.68
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]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

3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
CID 114411541
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid (CID 115965821) is 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid is CCCC(CCNC(=O)N1CCC(CO)C1)CCC(=O)O.
What is the InChIKey of 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid?
The InChIKey is YDQNWWARQLHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-12(4-5-14(19)20)6-8-16-15(21)17-9-7-13(10-17)11-18/h12-13,18H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid?
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid is sourced from PubChem (CID 115965821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).