(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide

C5H12N4O — CID 130806119

IUPAC(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide
SMILES[H]/N=C(\N)CNC(=O)[C@H](C)N
InChIInChI=1S/C5H12N4O/c1-3(6)5(10)9-2-4(7)8/h3H,2,6H2,1H3,(H3,7,8)(H,9,10)/t3-/m0/s1
InChIKeyYEOXDOWUYWVYHE-VKHMYHEASA-N
MW144.18 g/mol
LogP-1.61
Rot. Bonds3

About (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide

(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide (PubChem CID 130806119) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide
PubChem CID130806119
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide
SMILES[H]/N=C(\N)CNC(=O)[C@H](C)N
InChIInChI=1S/C5H12N4O/c1-3(6)5(10)9-2-4(7)8/h3H,2,6H2,1H3,(H3,7,8)(H,9,10)/t3-/m0/s1
InChIKeyYEOXDOWUYWVYHE-VKHMYHEASA-N
XLogP-1.61
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-2-iminoethyl)acetamide
CID 59930827
2-(1-aminoethylideneamino)-N-methylpropanamide
CID 63173573
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
CID 63173658
(2E)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
CID 89706364
N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
CID 90245733
2-amino-N-ethyl-2-iminoacetamide
CID 90785423
2-amino-N-[2-(dimethylamino)ethyl]-2-iminoacetamide
CID 91603296
3-amino-3-imino-N-propan-2-ylpropanamide
CID 99990041
N-(2,5-diamino-5-iminopentyl)acetamide
CID 122547937
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
2-diazo-2-isocyano-N-propan-2-ylacetamide
CID 123286716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide (CID 130806119) is (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide is [H]/N=C(\N)CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide?
The InChIKey is YEOXDOWUYWVYHE-VKHMYHEASA-N. The full InChI is InChI=1S/C5H12N4O/c1-3(6)5(10)9-2-4(7)8/h3H,2,6H2,1H3,(H3,7,8)(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide?
(2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide has a molecular weight of 144.18 g/mol, XLogP of -1.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-iminoethyl)propanamide is sourced from PubChem (CID 130806119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).