2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide

C7H15N3O2 — CID 103914024

IUPAC2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
SMILESCC(C)C(NCC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(2)6(7(9)12)10-3-5(8)11/h4,6,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyGTEDRDDHMAHEKJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.43
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide

2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide (PubChem CID 103914024) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
PubChem CID103914024
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
SMILESCC(C)C(NCC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-4(2)6(7(9)12)10-3-5(8)11/h4,6,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyGTEDRDDHMAHEKJ-UHFFFAOYSA-N
XLogP-1.43
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 ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]butanoic acid
CID 106344813
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide (CID 103914024) is 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide is CC(C)C(NCC(N)=O)C(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide?
The InChIKey is GTEDRDDHMAHEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-4(2)6(7(9)12)10-3-5(8)11/h4,6,10H,3H2,1-2H3,(H2,8,11)(H2,9,12).
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide?
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide has a molecular weight of 173.22 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 103914024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).