3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide

C9H19N3O2 — CID 103950826

IUPAC3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(C)N
InChIInChI=1S/C9H19N3O2/c1-6(10)7(13)12-5-9(2,3)8(14)11-4/h6H,5,10H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyQIIRVDLOPOFDAD-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.78
Rot. Bonds4

About 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide

3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide (PubChem CID 103950826) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
PubChem CID103950826
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(C)N
InChIInChI=1S/C9H19N3O2/c1-6(10)7(13)12-5-9(2,3)8(14)11-4/h6H,5,10H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyQIIRVDLOPOFDAD-UHFFFAOYSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
ethyl 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropanoate
CID 114167338
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 114167201
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 106279493
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106278540
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide (CID 103950826) is 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)C(C)N.
What is the InChIKey of 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide?
The InChIKey is QIIRVDLOPOFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(10)7(13)12-5-9(2,3)8(14)11-4/h6H,5,10H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide?
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103950826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).