2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide

C8H17N3O2 — CID 103809519

IUPAC2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
SMILESCNCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-8(2,7(9)13)5-11-6(12)4-10-3/h10H,4-5H2,1-3H3,(H2,9,13)(H,11,12)
InChIKeyKKDNTTFZZLNCFS-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.17
Rot. Bonds5

About 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide

2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide (PubChem CID 103809519) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
PubChem CID103809519
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
SMILESCNCC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-8(2,7(9)13)5-11-6(12)4-10-3/h10H,4-5H2,1-3H3,(H2,9,13)(H,11,12)
InChIKeyKKDNTTFZZLNCFS-UHFFFAOYSA-N
XLogP-1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
2-(methylamino)-N-(2,2,3,3-tetramethylbutyl)acetamide
CID 115152153
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide (CID 103809519) is 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide is CNCC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide?
The InChIKey is KKDNTTFZZLNCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,7(9)13)5-11-6(12)4-10-3/h10H,4-5H2,1-3H3,(H2,9,13)(H,11,12).
What are the key properties of 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide?
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide is sourced from PubChem (CID 103809519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).