2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid

C13H24N2O4 — CID 114798779

IUPAC2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCC(CCO)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-3-11(12(17)18)8-14-13(19)15-6-4-10(9-15)5-7-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyDSLNWZFGAVWTNJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.90
Rot. Bonds7

About 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid

2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid (PubChem CID 114798779) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
PubChem CID114798779
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCC(CCO)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-3-11(12(17)18)8-14-13(19)15-6-4-10(9-15)5-7-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyDSLNWZFGAVWTNJ-UHFFFAOYSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid (CID 114798779) is 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCC(CCO)C1)C(=O)O.
What is the InChIKey of 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is DSLNWZFGAVWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-11(12(17)18)8-14-13(19)15-6-4-10(9-15)5-7-16/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid?
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 114798779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).