3-(tert-butylcarbamoylamino)butanamide

C9H19N3O2 — CID 115695141

IUPAC3-(tert-butylcarbamoylamino)butanamide
SMILESCC(CC(N)=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-6(5-7(10)13)11-8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H2,11,12,14)
InChIKeyUMRHJOLAMTUPRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.35
Rot. Bonds3

About 3-(tert-butylcarbamoylamino)butanamide

3-(tert-butylcarbamoylamino)butanamide (PubChem CID 115695141) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(tert-butylcarbamoylamino)butanamide.

Molecular Properties

Compound Name3-(tert-butylcarbamoylamino)butanamide
PubChem CID115695141
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(tert-butylcarbamoylamino)butanamide
SMILESCC(CC(N)=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-6(5-7(10)13)11-8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H2,11,12,14)
InChIKeyUMRHJOLAMTUPRK-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
CID 178036338
CID 178036338
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
CID 115746838
3-(methylcarbamothioylamino)butanamide
CID 116510284
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
CID 100933689
1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoylamino)butanamide?
The IUPAC name of 3-(tert-butylcarbamoylamino)butanamide (CID 115695141) is 3-(tert-butylcarbamoylamino)butanamide.
What is the SMILES notation for 3-(tert-butylcarbamoylamino)butanamide?
The canonical SMILES for 3-(tert-butylcarbamoylamino)butanamide is CC(CC(N)=O)NC(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylcarbamoylamino)butanamide?
The InChIKey is UMRHJOLAMTUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(5-7(10)13)11-8(14)12-9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H2,11,12,14).
What are the key properties of 3-(tert-butylcarbamoylamino)butanamide?
3-(tert-butylcarbamoylamino)butanamide has a molecular weight of 201.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoylamino)butanamide is sourced from PubChem (CID 115695141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).