4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

C9H17N3O4 — CID 66248978

IUPAC4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCN
InChIInChI=1S/C9H17N3O4/c1-9(7(13)14)5-16-4-6(9)12-8(15)11-3-2-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyZXGOJKDHVAPXFZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.27
Rot. Bonds4

About 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66248978) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66248978
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCN
InChIInChI=1S/C9H17N3O4/c1-9(7(13)14)5-16-4-6(9)12-8(15)11-3-2-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyZXGOJKDHVAPXFZ-UHFFFAOYSA-N
XLogP-1.27
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66249979
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66250740
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79359495
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
3-methyl-4-(2-prop-2-enylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114187962
4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249531
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249187
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66250953
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250933

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (CID 66248978) is 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NCCN.
What is the InChIKey of 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is ZXGOJKDHVAPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(7(13)14)5-16-4-6(9)12-8(15)11-3-2-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).