4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid

C10H17N3O5 — CID 66248351

IUPAC4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C10H17N3O5/c1-10(9(16)17)4-18-3-6(10)13-8(15)5(11)2-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyNBRCYVIBSLRUBC-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.20
Rot. Bonds5

About 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248351) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248351
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C(N)CC(N)=O
InChIInChI=1S/C10H17N3O5/c1-10(9(16)17)4-18-3-6(10)13-8(15)5(11)2-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyNBRCYVIBSLRUBC-UHFFFAOYSA-N
XLogP-2.20
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66248351) is 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C(N)CC(N)=O.
What is the InChIKey of 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is NBRCYVIBSLRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-10(9(16)17)4-18-3-6(10)13-8(15)5(11)2-7(12)14/h5-6H,2-4,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).