7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid

C14H26N2O4 — CID 114799037

IUPAC7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O4/c17-10-7-12-6-9-16(11-12)14(20)15-8-4-2-1-3-5-13(18)19/h12,17H,1-11H2,(H,15,20)(H,18,19)
InChIKeyWJFXGXPLWFKALZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds9

About 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid

7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid (PubChem CID 114799037) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
PubChem CID114799037
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N1CCC(CCO)C1
InChIInChI=1S/C14H26N2O4/c17-10-7-12-6-9-16(11-12)14(20)15-8-4-2-1-3-5-13(18)19/h12,17H,1-11H2,(H,15,20)(H,18,19)
InChIKeyWJFXGXPLWFKALZ-UHFFFAOYSA-N
XLogP1.44
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
3-[1-(4-methylsulfanylbutylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113488067
2-[2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 114799147
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid (CID 114799037) is 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)N1CCC(CCO)C1.
What is the InChIKey of 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid?
The InChIKey is WJFXGXPLWFKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c17-10-7-12-6-9-16(11-12)14(20)15-8-4-2-1-3-5-13(18)19/h12,17H,1-11H2,(H,15,20)(H,18,19).
What are the key properties of 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid?
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 114799037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).