4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid

C11H21NO4 — CID 106120319

IUPAC4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(O)CCCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(13)5-4-6-12-10(14)8(2)9(3)11(15)16/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyJWWIWCPZLOJWQP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.62
Rot. Bonds7

About 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid

4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 106120319) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID106120319
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(O)CCCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(13)5-4-6-12-10(14)8(2)9(3)11(15)16/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyJWWIWCPZLOJWQP-UHFFFAOYSA-N
XLogP0.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
CID 106134399
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
N-(4-hydroxypentyl)propanamide
CID 107299540
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
3,9-dihydroxy-2-methyldecanoic acid
CID 18709867
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid (CID 106120319) is 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid is CC(O)CCCNC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is JWWIWCPZLOJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(13)5-4-6-12-10(14)8(2)9(3)11(15)16/h7-9,13H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid?
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 106120319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).