4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid

C8H13N3O5 — CID 66241326

IUPAC4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESNC(=O)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C8H13N3O5/c9-6(12)1-10-8(15)11-5-3-16-2-4(5)7(13)14/h4-5H,1-3H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyPBDZHINLEIKFTI-UHFFFAOYSA-N
MW231.21 g/mol
LogP-2.13
Rot. Bonds4

About 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66241326) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66241326
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESNC(=O)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C8H13N3O5/c9-6(12)1-10-8(15)11-5-3-16-2-4(5)7(13)14/h4-5H,1-3H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyPBDZHINLEIKFTI-UHFFFAOYSA-N
XLogP-2.13
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241559
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240170
4-(3-pyrrolidin-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239977
4-[(4-bromophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240540
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240776

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66241326) is 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid is NC(=O)CNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is PBDZHINLEIKFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5/c9-6(12)1-10-8(15)11-5-3-16-2-4(5)7(13)14/h4-5H,1-3H2,(H2,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of -2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).