[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid

C19H37N3O4 — CID 90033012

IUPAC[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid
SMILESCC(C)CC(CCC(CNC(=O)O)NC(=O)O)(CC(C)C)N1CCCC1
InChIInChI=1S/C19H37N3O4/c1-14(2)11-19(12-15(3)4,22-9-5-6-10-22)8-7-16(21-18(25)26)13-20-17(23)24/h14-16,20-21H,5-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyWOTOXTVASDORRF-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.60
Rot. Bonds11

About [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid

[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid (PubChem CID 90033012) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid
PubChem CID90033012
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Name[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid
SMILESCC(C)CC(CCC(CNC(=O)O)NC(=O)O)(CC(C)C)N1CCCC1
InChIInChI=1S/C19H37N3O4/c1-14(2)11-19(12-15(3)4,22-9-5-6-10-22)8-7-16(21-18(25)26)13-20-17(23)24/h14-16,20-21H,5-13H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyWOTOXTVASDORRF-UHFFFAOYSA-N
XLogP3.60
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid?
The IUPAC name of [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid (CID 90033012) is [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid.
What is the SMILES notation for [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid?
The canonical SMILES for [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid is CC(C)CC(CCC(CNC(=O)O)NC(=O)O)(CC(C)C)N1CCCC1.
What is the InChIKey of [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid?
The InChIKey is WOTOXTVASDORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-14(2)11-19(12-15(3)4,22-9-5-6-10-22)8-7-16(21-18(25)26)13-20-17(23)24/h14-16,20-21H,5-13H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid?
[1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid has a molecular weight of 371.52 g/mol, XLogP of 3.60, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carboxyamino)-7-methyl-5-(2-methylpropyl)-5-pyrrolidin-1-yloctan-2-yl]carbamic acid is sourced from PubChem (CID 90033012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).