N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide

C11H20N2O2 — CID 112684633

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(9(14)13-11(2,3)4)12-10(15)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyPCMFYZVCLIRMOU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.82
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide (PubChem CID 112684633) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
PubChem CID112684633
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(9(14)13-11(2,3)4)12-10(15)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyPCMFYZVCLIRMOU-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
(2R,5S)-5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945642
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688909
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119748183
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 112703978
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891
N-tert-butyl-2-(1-cyclopropylethylamino)propanamide
CID 43401275
N-tert-butyl-2-(2-cyclopropylpropan-2-ylamino)propanamide
CID 104577778
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide (CID 112684633) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide?
The InChIKey is PCMFYZVCLIRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(9(14)13-11(2,3)4)12-10(15)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112684633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).