3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide

C8H18N4O2 — CID 106097393

IUPAC3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(N)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-8(2,3-6(10)13)12-4-5(9)7(11)14/h5,12H,3-4,9H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyJGDXMUPCNVIFAT-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.96
Rot. Bonds6

About 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide

3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide (PubChem CID 106097393) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
PubChem CID106097393
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(N)C(N)=O
InChIInChI=1S/C8H18N4O2/c1-8(2,3-6(10)13)12-4-5(9)7(11)14/h5,12H,3-4,9H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyJGDXMUPCNVIFAT-UHFFFAOYSA-N
XLogP-1.96
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methylpentan-2-ylamino)propanamide
CID 103264433
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
3-methyl-3-(pent-4-ynylamino)butanamide
CID 104580392
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
3-[[(E)-3-chloroprop-2-enyl]amino]-3-methylbutanamide
CID 104580489
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide (CID 106097393) is 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NCC(N)C(N)=O.
What is the InChIKey of 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide?
The InChIKey is JGDXMUPCNVIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-8(2,3-6(10)13)12-4-5(9)7(11)14/h5,12H,3-4,9H2,1-2H3,(H2,10,13)(H2,11,14).
What are the key properties of 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide?
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide has a molecular weight of 202.26 g/mol, XLogP of -1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).