2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid

C9H16N2O4 — CID 62944011

IUPAC2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(O)C1
InChIInChI=1S/C9H16N2O4/c1-2-10(6-8(13)14)9(15)11-4-3-7(12)5-11/h7,12H,2-6H2,1H3,(H,13,14)
InChIKeyFQXFNVIRJLGGJN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.42
Rot. Bonds3

About 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid

2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 62944011) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID62944011
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(O)C1
InChIInChI=1S/C9H16N2O4/c1-2-10(6-8(13)14)9(15)11-4-3-7(12)5-11/h7,12H,2-6H2,1H3,(H,13,14)
InChIKeyFQXFNVIRJLGGJN-UHFFFAOYSA-N
XLogP-0.42
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid (CID 62944011) is 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is FQXFNVIRJLGGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-10(6-8(13)14)9(15)11-4-3-7(12)5-11/h7,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid?
2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-hydroxypyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 62944011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).