(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide

C9H17NO4 — CID 143155561

IUPAC(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide
SMILESCCCN(C)C(=O)C(O)C[C@@H](O)C=O
InChIInChI=1S/C9H17NO4/c1-3-4-10(2)9(14)8(13)5-7(12)6-11/h6-8,12-13H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyYKNFJPZUUAYEAR-GVHYBUMESA-N
MW203.24 g/mol
LogP-0.83
Rot. Bonds6

About (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide

(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide (PubChem CID 143155561) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide.

Molecular Properties

Compound Name(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide
PubChem CID143155561
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide
SMILESCCCN(C)C(=O)C(O)C[C@@H](O)C=O
InChIInChI=1S/C9H17NO4/c1-3-4-10(2)9(14)8(13)5-7(12)6-11/h6-8,12-13H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyYKNFJPZUUAYEAR-GVHYBUMESA-N
XLogP-0.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
N,2-dimethyl-N-propylbutanamide
CID 89368936
4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
CID 115180815
2-ethoxy-N-methyl-N-propylpropanamide
CID 145156816
(2S)-4-(dimethylamino)-2-hydroxybutanal
CID 144793391
1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
CID 123232495
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
N-butyl-N,2-dimethylpropanamide
CID 21413636
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide?
The IUPAC name of (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide (CID 143155561) is (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide.
What is the SMILES notation for (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide?
The canonical SMILES for (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide is CCCN(C)C(=O)C(O)C[C@@H](O)C=O.
What is the InChIKey of (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide?
The InChIKey is YKNFJPZUUAYEAR-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-10(2)9(14)8(13)5-7(12)6-11/h6-8,12-13H,3-5H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide?
(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide has a molecular weight of 203.24 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide is sourced from PubChem (CID 143155561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).