(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid

C13H19NO4 — CID 102945325

IUPAC(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N(CC2CC2)C2CC2)O1
InChIInChI=1S/C13H19NO4/c15-12(10-5-6-11(18-10)13(16)17)14(9-3-4-9)7-8-1-2-8/h8-11H,1-7H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyXKZSGZNMWHCYDM-WDEREUQCSA-N
MW253.30 g/mol
LogP1.02
Rot. Bonds5

About (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945325) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945325
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N(CC2CC2)C2CC2)O1
InChIInChI=1S/C13H19NO4/c15-12(10-5-6-11(18-10)13(16)17)14(9-3-4-9)7-8-1-2-8/h8-11H,1-7H2,(H,16,17)/t10-,11+/m0/s1
InChIKeyXKZSGZNMWHCYDM-WDEREUQCSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945325) is (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N(CC2CC2)C2CC2)O1.
What is the InChIKey of (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is XKZSGZNMWHCYDM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19NO4/c15-12(10-5-6-11(18-10)13(16)17)14(9-3-4-9)7-8-1-2-8/h8-11H,1-7H2,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).