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

C11H17N3O5 — CID 66239754

IUPAC4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(CNC(=O)NC1COCC1C(=O)O)NC1CC1
InChIInChI=1S/C11H17N3O5/c15-9(13-6-1-2-6)3-12-11(18)14-8-5-19-4-7(8)10(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyPZVFWDIPRGXZSU-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.34
Rot. Bonds5

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

4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239754) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239754
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(CNC(=O)NC1COCC1C(=O)O)NC1CC1
InChIInChI=1S/C11H17N3O5/c15-9(13-6-1-2-6)3-12-11(18)14-8-5-19-4-7(8)10(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyPZVFWDIPRGXZSU-UHFFFAOYSA-N
XLogP-1.34
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258082
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82961331
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240776
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid (CID 66239754) is 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid is O=C(CNC(=O)NC1COCC1C(=O)O)NC1CC1.
What is the InChIKey of 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is PZVFWDIPRGXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c15-9(13-6-1-2-6)3-12-11(18)14-8-5-19-4-7(8)10(16)17/h6-8H,1-5H2,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid?
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).