N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide

C7H15NO4 — CID 130438480

IUPACN-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
SMILESCC(C)C(=O)NOC[C@H](O)CO
InChIInChI=1S/C7H15NO4/c1-5(2)7(11)8-12-4-6(10)3-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)/t6-/m1/s1
InChIKeyXLRGKJZMXIDORC-ZCFIWIBFSA-N
MW177.20 g/mol
LogP-0.96
Rot. Bonds5

About N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide

N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide (PubChem CID 130438480) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
PubChem CID130438480
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC NameN-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
SMILESCC(C)C(=O)NOC[C@H](O)CO
InChIInChI=1S/C7H15NO4/c1-5(2)7(11)8-12-4-6(10)3-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)/t6-/m1/s1
InChIKeyXLRGKJZMXIDORC-ZCFIWIBFSA-N
XLogP-0.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-methylpropanamide
CID 60717901
copper;2,3-dihydroxypropyl acetate
CID 175414462
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid
CID 87925578
3-hydrazinyloxypropane-1,2-diol;hydrate
CID 174978958
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
methyl 2-bromo-3-(2,3-dihydroxypropoxy)propanoate
CID 86130589
(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
CID 131206655
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide (CID 130438480) is N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide is CC(C)C(=O)NOC[C@H](O)CO.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide?
The InChIKey is XLRGKJZMXIDORC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(2)7(11)8-12-4-6(10)3-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)/t6-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide?
N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide has a molecular weight of 177.20 g/mol, XLogP of -0.96, 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-dihydroxypropoxy]-2-methylpropanamide is sourced from PubChem (CID 130438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).