2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide

C6H14N4O2 — CID 90456857

IUPAC2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(N)N)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(4(7)11)10-5(12)6(2,8)9/h3H,8-9H2,1-2H3,(H2,7,11)(H,10,12)
InChIKeyALNRYPRDSSFYKK-UHFFFAOYSA-N
MW174.20 g/mol
LogP-2.39
Rot. Bonds3

About 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide

2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide (PubChem CID 90456857) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide
PubChem CID90456857
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(N)N)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(4(7)11)10-5(12)6(2,8)9/h3H,8-9H2,1-2H3,(H2,7,11)(H,10,12)
InChIKeyALNRYPRDSSFYKK-UHFFFAOYSA-N
XLogP-2.39
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
3,6-Dimethylpiperazine-2,5-dione
CID 97704
Ala-Ala zwitterion
CID 6992372
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
CID 5242513
CID 5242513
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
Ala-boroAla
CID 74765703
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The IUPAC name of 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide (CID 90456857) is 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide.
What is the SMILES notation for 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The canonical SMILES for 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide is CC(NC(=O)C(C)(N)N)C(N)=O.
What is the InChIKey of 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide?
The InChIKey is ALNRYPRDSSFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(4(7)11)10-5(12)6(2,8)9/h3H,8-9H2,1-2H3,(H2,7,11)(H,10,12).
What are the key properties of 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide?
2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide has a molecular weight of 174.20 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-N-(1-amino-1-oxopropan-2-yl)propanamide is sourced from PubChem (CID 90456857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).