5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid

C19H27N3O3 — CID 10360207

IUPAC5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid
SMILESCCN(CCO)CCCC(C)(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C19H27N3O3/c1-3-22(13-14-23)12-6-10-19(2,18(24)25)21-17-9-11-20-16-8-5-4-7-15(16)17/h4-5,7-9,11,23H,3,6,10,12-14H2,1-2H3,(H,20,21)(H,24,25)
InChIKeyKEUUVUFKWUVGSD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.58
Rot. Bonds10

About 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid

5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid (PubChem CID 10360207) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid
PubChem CID10360207
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid
SMILESCCN(CCO)CCCC(C)(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C19H27N3O3/c1-3-22(13-14-23)12-6-10-19(2,18(24)25)21-17-9-11-20-16-8-5-4-7-15(16)17/h4-5,7-9,11,23H,3,6,10,12-14H2,1-2H3,(H,20,21)(H,24,25)
InChIKeyKEUUVUFKWUVGSD-UHFFFAOYSA-N
XLogP2.58
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid (CID 10360207) is 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid is CCN(CCO)CCCC(C)(Nc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid?
The InChIKey is KEUUVUFKWUVGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-22(13-14-23)12-6-10-19(2,18(24)25)21-17-9-11-20-16-8-5-4-7-15(16)17/h4-5,7-9,11,23H,3,6,10,12-14H2,1-2H3,(H,20,21)(H,24,25).
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid?
5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid has a molecular weight of 345.44 g/mol, XLogP of 2.58, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]-2-methyl-2-(quinolin-4-ylamino)pentanoic acid is sourced from PubChem (CID 10360207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).