3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid

C10H18N2O4 — CID 79812034

IUPAC3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
SMILESCCC(C)(N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O4/c1-3-9(2,11)7(13)12-10(8(14)15)4-5-16-6-10/h3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDGIWQESAZGIFCT-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.53
Rot. Bonds4

About 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid

3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid (PubChem CID 79812034) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
PubChem CID79812034
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
SMILESCCC(C)(N)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O4/c1-3-9(2,11)7(13)12-10(8(14)15)4-5-16-6-10/h3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDGIWQESAZGIFCT-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541
3-[(2-amino-2-phenylpropanoyl)amino]oxolane-3-carboxylic acid
CID 64890052
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 61158529
4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid (CID 79812034) is 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid is CCC(C)(N)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DGIWQESAZGIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-9(2,11)7(13)12-10(8(14)15)4-5-16-6-10/h3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid?
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79812034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).