4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid

C11H20N2O4 — CID 107570009

IUPAC4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13(2)9-6-17-5-7(9)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m1/s1
InChIKeyCEDSVPHFLYTCGG-QJAFJHJLSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds5

About 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid

4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 107570009) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID107570009
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13(2)9-6-17-5-7(9)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m1/s1
InChIKeyCEDSVPHFLYTCGG-QJAFJHJLSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid (CID 107570009) is 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid is CCC[C@@H](N)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is CEDSVPHFLYTCGG-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-8(12)10(14)13(2)9-6-17-5-7(9)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7?,8-,9?/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107570009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).