2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide

C7H15N3O2 — CID 61220573

IUPAC2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
SMILESCC(C)(NCCC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-7(2,6(9)12)10-4-3-5(8)11/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyIEAMTOABVDEARN-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.28
Rot. Bonds5

About 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide

2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide (PubChem CID 61220573) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
PubChem CID61220573
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
SMILESCC(C)(NCCC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-7(2,6(9)12)10-4-3-5(8)11/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyIEAMTOABVDEARN-UHFFFAOYSA-N
XLogP-1.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
3-(1,1-difluoroethylamino)propanamide
CID 162133610
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
2-methyl-2-(3-methylsulfonylpropylamino)propanamide
CID 63190991
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943
2-(2,2-difluoroethylamino)-2-methylpropanamide
CID 61220948
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanamide
CID 143048226
2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219041
2-(hydroxyamino)-2-methylpropanamide
CID 523203
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
2-methyl-2-(piperidin-4-ylmethylamino)propanamide
CID 79707226
2-[[(E)-4-chlorobut-2-enyl]amino]-2-methylpropanamide
CID 81430986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide (CID 61220573) is 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide is CC(C)(NCCC(N)=O)C(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide?
The InChIKey is IEAMTOABVDEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2,6(9)12)10-4-3-5(8)11/h10H,3-4H2,1-2H3,(H2,8,11)(H2,9,12).
What are the key properties of 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide?
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide has a molecular weight of 173.22 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide is sourced from PubChem (CID 61220573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).