2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide

C6H14N4O2 — CID 103238893

IUPAC2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
SMILESCC(NCC(N)C(N)=O)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(5(8)11)10-2-4(7)6(9)12/h3-4,10H,2,7H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyRVMXUBYGBOQNDW-UHFFFAOYSA-N
MW174.20 g/mol
LogP-2.74
Rot. Bonds5

About 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide

2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide (PubChem CID 103238893) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
PubChem CID103238893
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
SMILESCC(NCC(N)C(N)=O)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(5(8)11)10-2-4(7)6(9)12/h3-4,10H,2,7H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyRVMXUBYGBOQNDW-UHFFFAOYSA-N
XLogP-2.74
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824
2-amino-3-(3-ethylpentan-2-ylamino)propanamide
CID 103250759
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 103246089
2-amino-3-(1,3-dihydroxypropan-2-ylamino)propanamide
CID 103237040
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
2-amino-3-(pent-4-yn-2-ylamino)propanamide
CID 103266012
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 103257937
(2S)-2-(propylamino)propanamide
CID 28835957

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide?
The IUPAC name of 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide (CID 103238893) is 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide is CC(NCC(N)C(N)=O)C(N)=O.
What is the InChIKey of 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide?
The InChIKey is RVMXUBYGBOQNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(5(8)11)10-2-4(7)6(9)12/h3-4,10H,2,7H2,1H3,(H2,8,11)(H2,9,12).
What are the key properties of 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide?
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide has a molecular weight of 174.20 g/mol, XLogP of -2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide is sourced from PubChem (CID 103238893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).