2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide

C7H15N5O2 — CID 141396646

IUPAC2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide
SMILESCC/N=C(\N)C(N)C(=O)NCC(N)=O
InChIInChI=1S/C7H15N5O2/c1-2-11-6(10)5(9)7(14)12-3-4(8)13/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14)
InChIKeyISOOIKZOZABLFY-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.71
Rot. Bonds5

About 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide

2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide (PubChem CID 141396646) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide.

Molecular Properties

Compound Name2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide
PubChem CID141396646
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide
SMILESCC/N=C(\N)C(N)C(=O)NCC(N)=O
InChIInChI=1S/C7H15N5O2/c1-2-11-6(10)5(9)7(14)12-3-4(8)13/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14)
InChIKeyISOOIKZOZABLFY-UHFFFAOYSA-N
XLogP-2.71
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-Diamino-4,5-dihydro-4-oxo-5-pyrimidinyl)formamide
CID 122328
3-Amino-2-(formylamino)-3-iminopropanamide
CID 44719376
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
3-(diaminomethylideneamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 54445418
N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
CID 56616942
2-Methyl-4-(methylaminomethyl)-1,4-dihydroimidazol-5-one
CID 59279705
2-acetamido-3-(diaminomethylideneamino)-N-methylpropanamide
CID 59872363
N,2-dimethyl-4,5-dihydro-1H-imidazole-5-carboxamide
CID 90126408
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-Amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
CID 123374487
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide?
The IUPAC name of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide (CID 141396646) is 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide.
What is the SMILES notation for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide?
The canonical SMILES for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide is CC/N=C(\N)C(N)C(=O)NCC(N)=O.
What is the InChIKey of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide?
The InChIKey is ISOOIKZOZABLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-2-11-6(10)5(9)7(14)12-3-4(8)13/h5H,2-3,9H2,1H3,(H2,8,13)(H2,10,11)(H,12,14).
What are the key properties of 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide?
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide has a molecular weight of 201.23 g/mol, XLogP of -2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide is sourced from PubChem (CID 141396646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).