N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide

C9H17NO3 — CID 178096823

IUPACN-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
SMILESCC(=O)[C@H](COC(C)(C)C)NC=O
InChIInChI=1S/C9H17NO3/c1-7(12)8(10-6-11)5-13-9(2,3)4/h6,8H,5H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyWZCKSBWGNDMFNH-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.51
Rot. Bonds5

About N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide

N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide (PubChem CID 178096823) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
PubChem CID178096823
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
SMILESCC(=O)[C@H](COC(C)(C)C)NC=O
InChIInChI=1S/C9H17NO3/c1-7(12)8(10-6-11)5-13-9(2,3)4/h6,8H,5H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyWZCKSBWGNDMFNH-QMMMGPOBSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
tert-butyl 2-formamido-4-methylpent-4-enoate
CID 10353162
2-formamidobutanamide
CID 55291106
(2S)-2-(methylamino)-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]-3-phenylpropanamide
CID 122467823
3-ethoxy-2-formamidopropanoic acid
CID 81079931
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
methyl 2-formamido-3-hydroxypropanoate
CID 20784540
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 14059342

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide (CID 178096823) is N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide is CC(=O)[C@H](COC(C)(C)C)NC=O.
What is the InChIKey of N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide?
The InChIKey is WZCKSBWGNDMFNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(12)8(10-6-11)5-13-9(2,3)4/h6,8H,5H2,1-4H3,(H,10,11)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide?
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide has a molecular weight of 187.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide is sourced from PubChem (CID 178096823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).