(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid

C15H28N2O4 — CID 102991739

IUPAC(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC)CCCN(CC)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H28N2O4/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(21-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyHMJUKYDQJMKMPO-QWHCGFSZSA-N
MW300.40 g/mol
LogP1.20
Rot. Bonds9

About (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102991739) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102991739
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC)CCCN(CC)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H28N2O4/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(21-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyHMJUKYDQJMKMPO-QWHCGFSZSA-N
XLogP1.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102991739) is (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid is CCN(CC)CCCN(CC)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HMJUKYDQJMKMPO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(21-12)15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102991739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).