4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

C10H17N3O5 — CID 66250933

IUPAC4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1(C)C(=O)O)C(N)=O
InChIInChI=1S/C10H17N3O5/c1-5(7(11)14)12-9(17)13-6-3-18-4-10(6,2)8(15)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyABTHGLPVTXSDKX-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.35
Rot. Bonds4

About 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250933) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250933
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1COCC1(C)C(=O)O)C(N)=O
InChIInChI=1S/C10H17N3O5/c1-5(7(11)14)12-9(17)13-6-3-18-4-10(6,2)8(15)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)
InChIKeyABTHGLPVTXSDKX-UHFFFAOYSA-N
XLogP-1.35
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (CID 66250933) is 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is CC(NC(=O)NC1COCC1(C)C(=O)O)C(N)=O.
What is the InChIKey of 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is ABTHGLPVTXSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-5(7(11)14)12-9(17)13-6-3-18-4-10(6,2)8(15)16/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).