(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid

C10H16N2O5 — CID 102944416

IUPAC(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCNC(=O)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H16N2O5/c1-2-11-8(13)5-12-9(14)6-3-4-7(17-6)10(15)16/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16)/t6-,7+/m0/s1
InChIKeyJDDZPOOWCUIOME-NKWVEPMBSA-N
MW244.25 g/mol
LogP-1.13
Rot. Bonds5

About (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944416) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944416
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCNC(=O)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H16N2O5/c1-2-11-8(13)5-12-9(14)6-3-4-7(17-6)10(15)16/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16)/t6-,7+/m0/s1
InChIKeyJDDZPOOWCUIOME-NKWVEPMBSA-N
XLogP-1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R,5S)-5-(2-bromoprop-2-enylcarbamoyl)oxolane-2-carboxylic acid
CID 102945679
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 114091717
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688459
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945348
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102944416) is (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid is CCNC(=O)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JDDZPOOWCUIOME-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-2-11-8(13)5-12-9(14)6-3-4-7(17-6)10(15)16/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16)/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).