4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid

C10H18N2O4 — CID 66249531

IUPAC4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(CN)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(3-11)8(13)12-7-4-16-5-10(7,2)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySPTPFNFKCPQGMO-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.81
Rot. Bonds4

About 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66249531) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66249531
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC(CN)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(3-11)8(13)12-7-4-16-5-10(7,2)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySPTPFNFKCPQGMO-UHFFFAOYSA-N
XLogP-0.81
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66249531) is 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid is CC(CN)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is SPTPFNFKCPQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(3-11)8(13)12-7-4-16-5-10(7,2)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66249531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).