N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide

C12H24N2O3 — CID 164772716

IUPACN-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NC(C(=O)NC(C)(C)C)C(C)O
InChIInChI=1S/C12H24N2O3/c1-7(2)10(16)13-9(8(3)15)11(17)14-12(4,5)6/h7-9,15H,1-6H3,(H,13,16)(H,14,17)
InChIKeyDGRWLIAUZCHZSL-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.42
Rot. Bonds4

About N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide

N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide (PubChem CID 164772716) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
PubChem CID164772716
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NC(C(=O)NC(C)(C)C)C(C)O
InChIInChI=1S/C12H24N2O3/c1-7(2)10(16)13-9(8(3)15)11(17)14-12(4,5)6/h7-9,15H,1-6H3,(H,13,16)(H,14,17)
InChIKeyDGRWLIAUZCHZSL-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
N-tert-butyl-2-fluoropropanamide
CID 167699160
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylpropanamide
CID 167316538
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 88555810
(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
CID 130268305
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-chloro-3-methylbutanamide
CID 60693170
2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
CID 15438826
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide (CID 164772716) is N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide is CC(C)C(=O)NC(C(=O)NC(C)(C)C)C(C)O.
What is the InChIKey of N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide?
The InChIKey is DGRWLIAUZCHZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)10(16)13-9(8(3)15)11(17)14-12(4,5)6/h7-9,15H,1-6H3,(H,13,16)(H,14,17).
What are the key properties of N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide?
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide has a molecular weight of 244.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 164772716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).