2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid

C11H18N2O6 — CID 112626900

IUPAC2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCC(O)C1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-7(14)8-2-3-12(4-8)11(19)13(5-9(15)16)6-10(17)18/h7-8,14H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyASUXSODQDPSDKR-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.72
Rot. Bonds5

About 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid

2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid (PubChem CID 112626900) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
PubChem CID112626900
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCC(O)C1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-7(14)8-2-3-12(4-8)11(19)13(5-9(15)16)6-10(17)18/h7-8,14H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyASUXSODQDPSDKR-UHFFFAOYSA-N
XLogP-0.72
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid (CID 112626900) is 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid is CC(O)C1CCN(C(=O)N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid?
The InChIKey is ASUXSODQDPSDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(14)8-2-3-12(4-8)11(19)13(5-9(15)16)6-10(17)18/h7-8,14H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid?
2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 112626900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).