4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C14H26N2O5 — CID 66250358

IUPAC4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-10(5-2)16(6-7-17)13(20)15-11-8-21-9-14(11,3)12(18)19/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFULPEGNRZPQEEZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.67
Rot. Bonds7

About 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250358) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250358
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-10(5-2)16(6-7-17)13(20)15-11-8-21-9-14(11,3)12(18)19/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFULPEGNRZPQEEZ-UHFFFAOYSA-N
XLogP0.67
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66250358) is 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CCC(CC)N(CCO)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is FULPEGNRZPQEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-4-10(5-2)16(6-7-17)13(20)15-11-8-21-9-14(11,3)12(18)19/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).