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

C10H15NO4 — CID 102944290

IUPAC(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCC1CC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H15NO4/c12-9(11-5-6-1-2-6)7-3-4-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t7-,8+/m0/s1
InChIKeyIHAGNMBRSNEYRO-JGVFFNPUSA-N
MW213.23 g/mol
LogP0.14
Rot. Bonds4

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

(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944290) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944290
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCC1CC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H15NO4/c12-9(11-5-6-1-2-6)7-3-4-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t7-,8+/m0/s1
InChIKeyIHAGNMBRSNEYRO-JGVFFNPUSA-N
XLogP0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106120430
(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945114
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2R,5S)-5-(thian-2-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945469
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
(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
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid (CID 102944290) is (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCC1CC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is IHAGNMBRSNEYRO-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(11-5-6-1-2-6)7-3-4-8(15-7)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).