(2S)-2-amino-3-(diaminomethylideneamino)propanamide

C4H11N5O — CID 149104160

IUPAC(2S)-2-amino-3-(diaminomethylideneamino)propanamide
SMILESNC(=O)[C@@H](N)CN=C(N)N
InChIInChI=1S/C4H11N5O/c5-2(3(6)10)1-9-4(7)8/h2H,1,5H2,(H2,6,10)(H4,7,8,9)/t2-/m0/s1
InChIKeyQVICPIQAGDAJBX-REOHCLBHSA-N
MW145.17 g/mol
LogP-2.93
Rot. Bonds3

About (2S)-2-amino-3-(diaminomethylideneamino)propanamide

(2S)-2-amino-3-(diaminomethylideneamino)propanamide (PubChem CID 149104160) has the molecular formula C4H11N5O and a molecular weight of 145.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(diaminomethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(diaminomethylideneamino)propanamide
PubChem CID149104160
Molecular FormulaC4H11N5O
Molecular Weight145.17 g/mol
Exact Mass145.10
IUPAC Name(2S)-2-amino-3-(diaminomethylideneamino)propanamide
SMILESNC(=O)[C@@H](N)CN=C(N)N
InChIInChI=1S/C4H11N5O/c5-2(3(6)10)1-9-4(7)8/h2H,1,5H2,(H2,6,10)(H4,7,8,9)/t2-/m0/s1
InChIKeyQVICPIQAGDAJBX-REOHCLBHSA-N
XLogP-2.93
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.17
LogP ≤ 5-2.93
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

2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine;2-(2-amino-4-methyl-3-oxopentyl)guanidine;1,2-diamino-4-methylpentan-3-one;(2R)-1,2-diamino-4-methylpentan-3-one;(2S)-1,2-diamino-4-methylpentan-3-one
CID 161412599
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-5-oxohexanoic acid
CID 87499595
2-[(2R)-2-amino-4-hexyl-3-oxodecyl]guanidine
CID 170092776
2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 160566673
ethyl (2R)-2-amino-5-(diaminomethylideneamino)-4-methylpentanoate
CID 22840792
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
2-amino-3-hydroxypropanamide;hydrochloride
CID 3085322
ethyl (2S)-2-amino-4-[(diaminomethylideneamino)methyl]hexanoate
CID 57189419
2-[(2S)-2,4-dimethyl-3-oxopentyl]guanidine;2-[(2R)-2,4-dimethyl-3-oxopentyl]guanidine;2-(2,4-dimethyl-3-oxopentyl)guanidine;methane
CID 158049134
(2S)-2-amino-4-[(diaminomethylideneamino)methyl]-6-(2H-triazol-4-yl)hexanamide
CID 91171978
2-aminobutanamide;hydrochloride
CID 14333659
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(diaminomethylideneamino)propanamide?
The IUPAC name of (2S)-2-amino-3-(diaminomethylideneamino)propanamide (CID 149104160) is (2S)-2-amino-3-(diaminomethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(diaminomethylideneamino)propanamide?
The canonical SMILES for (2S)-2-amino-3-(diaminomethylideneamino)propanamide is NC(=O)[C@@H](N)CN=C(N)N.
What is the InChIKey of (2S)-2-amino-3-(diaminomethylideneamino)propanamide?
The InChIKey is QVICPIQAGDAJBX-REOHCLBHSA-N. The full InChI is InChI=1S/C4H11N5O/c5-2(3(6)10)1-9-4(7)8/h2H,1,5H2,(H2,6,10)(H4,7,8,9)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-(diaminomethylideneamino)propanamide?
(2S)-2-amino-3-(diaminomethylideneamino)propanamide has a molecular weight of 145.17 g/mol, XLogP of -2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(diaminomethylideneamino)propanamide is sourced from PubChem (CID 149104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).