3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide

C7H16N2O2 — CID 43417124

IUPAC3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide
SMILESCC(C)(CO)NCCC(N)=O
InChIInChI=1S/C7H16N2O2/c1-7(2,5-10)9-4-3-6(8)11/h9-10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyUGFDLDROCCMHRQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds5

About 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide

3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide (PubChem CID 43417124) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide
PubChem CID43417124
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide
SMILESCC(C)(CO)NCCC(N)=O
InChIInChI=1S/C7H16N2O2/c1-7(2,5-10)9-4-3-6(8)11/h9-10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyUGFDLDROCCMHRQ-UHFFFAOYSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide?
The IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide (CID 43417124) is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide?
The canonical SMILES for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide is CC(C)(CO)NCCC(N)=O.
What is the InChIKey of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide?
The InChIKey is UGFDLDROCCMHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,5-10)9-4-3-6(8)11/h9-10H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide?
3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanamide is sourced from PubChem (CID 43417124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).