4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid

C9H17NO4 — CID 59180579

IUPAC4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(CC(=O)NCCO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)7(9(13)14)5-8(12)10-3-4-11/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyXXVKLEXDAAZBEP-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.16
Rot. Bonds6

About 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid

4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 59180579) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID59180579
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)C(CC(=O)NCCO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)7(9(13)14)5-8(12)10-3-4-11/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyXXVKLEXDAAZBEP-UHFFFAOYSA-N
XLogP-0.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chlorophenoxy)propylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 18416233
2-ethyl-3-(2-hydroxyethylcarbamoyl)-4,5,5-trimethylhexanoic acid
CID 167186315
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
4-(2-hydroxyethylamino)-2-(4-methylphenyl)-4-oxobutanoic acid
CID 79437298
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
6-methyl-4-oxo-2-propan-2-ylheptanoic acid
CID 76763066
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 86677924
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832411
2-(aminomethyl)-4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 106488527

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid (CID 59180579) is 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid is CC(C)C(CC(=O)NCCO)C(=O)O.
What is the InChIKey of 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is XXVKLEXDAAZBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)7(9(13)14)5-8(12)10-3-4-11/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid?
4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 59180579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).