4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid

C6H11NO4 — CID 87110855

IUPAC4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
SMILESCCC(O)(C(=O)O)C(=O)CN
InChIInChI=1S/C6H11NO4/c1-2-6(11,5(9)10)4(8)3-7/h11H,2-3,7H2,1H3,(H,9,10)
InChIKeyZKFCDKHOMNNOMO-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.26
Rot. Bonds4

About 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid

4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid (PubChem CID 87110855) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
PubChem CID87110855
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
SMILESCCC(O)(C(=O)O)C(=O)CN
InChIInChI=1S/C6H11NO4/c1-2-6(11,5(9)10)4(8)3-7/h11H,2-3,7H2,1H3,(H,9,10)
InChIKeyZKFCDKHOMNNOMO-UHFFFAOYSA-N
XLogP-1.26
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid;azane
CID 173280031
2-ethyl-2,3-dihydroxy-4-methylpent-3-enoic acid
CID 174527382
2-ethyl-2-hydroxy-3,4-dioxobutanoic acid
CID 174981492
(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
CID 124639866
2-aminoacetic acid;ethanamine
CID 162171079
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2,2-bis(2-aminoacetyl)-3,3-diethoxybutanedioic acid
CID 135375880
2-ethoxycarbonyl-2-hydroxy-5,5-dimethyl-4-oxohexanoic acid
CID 134868896
ethyl 2,4-diamino-2-hydroxy-3-oxobutanoate
CID 88603843
azane;ethyl 4-amino-2-hydroxy-2-methyl-3-oxobutanoate;oxalic acid
CID 87661931
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid?
The IUPAC name of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid (CID 87110855) is 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid?
The canonical SMILES for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid is CCC(O)(C(=O)O)C(=O)CN.
What is the InChIKey of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid?
The InChIKey is ZKFCDKHOMNNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-6(11,5(9)10)4(8)3-7/h11H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid?
4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid is sourced from PubChem (CID 87110855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).