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

C12H19N3O5 — CID 66241556

IUPAC4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H19N3O5/c1-15(4-10(16)13-7-2-3-7)12(19)14-9-6-20-5-8(9)11(17)18/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyDECMQUXFBSGTEX-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.99
Rot. Bonds5

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

4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66241556) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66241556
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NC1CC1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H19N3O5/c1-15(4-10(16)13-7-2-3-7)12(19)14-9-6-20-5-8(9)11(17)18/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyDECMQUXFBSGTEX-UHFFFAOYSA-N
XLogP-0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240363
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003
4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66223325
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66241556) is 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid is CN(CC(=O)NC1CC1)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DECMQUXFBSGTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-15(4-10(16)13-7-2-3-7)12(19)14-9-6-20-5-8(9)11(17)18/h7-9H,2-6H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).