N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide

C8H15NO4 — CID 134194631

IUPACN-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)NC[C@@H](O)CO
InChIInChI=1S/C8H15NO4/c1-5(2)7(12)8(13)9-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H,9,13)/t6-/m1/s1
InChIKeyIGOKHJBKIRUIRR-ZCFIWIBFSA-N
MW189.21 g/mol
LogP-1.32
Rot. Bonds5

About N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide

N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide (PubChem CID 134194631) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide
PubChem CID134194631
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)NC[C@@H](O)CO
InChIInChI=1S/C8H15NO4/c1-5(2)7(12)8(13)9-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H,9,13)/t6-/m1/s1
InChIKeyIGOKHJBKIRUIRR-ZCFIWIBFSA-N
XLogP-1.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(2,3-dihydroxypropyl)-2-methoxypropanamide
CID 115749574
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
2-cyano-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 123823635
N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(2,3-dihydroxypropyl)-2-hydroxybutanamide
CID 90334941
N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 165476452
N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
CID 66176629
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-(2,2-dihydroxyethyl)-2-methylpropanamide;N-[(2R)-2-hydroxybutyl]-3-methyl-2-oxobutanamide;(2S)-2-hydroxy-N-(2-hydroxybutyl)-3-methylbutanamide;2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide;(3S)-3-hydroxy-4-methylpentan-2-one;methane
CID 158213245

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide (CID 134194631) is N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide is CC(C)C(=O)C(=O)NC[C@@H](O)CO.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide?
The InChIKey is IGOKHJBKIRUIRR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)7(12)8(13)9-3-6(11)4-10/h5-6,10-11H,3-4H2,1-2H3,(H,9,13)/t6-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide?
N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide has a molecular weight of 189.21 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-3-methyl-2-oxobutanamide is sourced from PubChem (CID 134194631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).