5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid

C10H19NO4 — CID 62965425

IUPAC5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CCO)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-11(4-5-12)9(13)6-8(2)7-10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyHLKJFUAGMQDWLN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.33
Rot. Bonds7

About 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid

5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965425) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965425
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CCO)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-11(4-5-12)9(13)6-8(2)7-10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyHLKJFUAGMQDWLN-UHFFFAOYSA-N
XLogP0.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 78855760
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
CID 115772100
4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid (CID 62965425) is 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid is CCN(CCO)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is HLKJFUAGMQDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-11(4-5-12)9(13)6-8(2)7-10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).