(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid

C8H13NO4 — CID 102944287

IUPAC(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H13NO4/c1-2-9-7(10)5-3-4-6(13-5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6+/m0/s1
InChIKeyDLZNRLPNDDAGMJ-NTSWFWBYSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds3

About (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944287) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944287
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H13NO4/c1-2-9-7(10)5-3-4-6(13-5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6+/m0/s1
InChIKeyDLZNRLPNDDAGMJ-NTSWFWBYSA-N
XLogP-0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944416
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
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
(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945348
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]oxolane-2-carboxylic acid
CID 106167993
(2R,5S)-5-(2-bromoprop-2-enylcarbamoyl)oxolane-2-carboxylic acid
CID 102945679

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid (CID 102944287) is (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid is CCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is DLZNRLPNDDAGMJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-9-7(10)5-3-4-6(13-5)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).