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-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(S)-2-Acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide
CID 138591495
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Ac-leu-nhme
CID 6950977
Cyclo-L-Val-L-Val
CID 637596
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
Glycylleucinamid
CID 6994313
L-alanyl-L-valinamide
CID 7019981

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).