2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine

C5H13IN6O2 — CID 159967357

IUPAC2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
SMILESNCC(=O)O.[H]/N=C(/N=C(N)N)N(C)I
InChIInChI=1S/C3H8IN5.C2H5NO2/c1-9(4)3(7)8-2(5)6;3-1-2(4)5/h1H3,(H5,5,6,7,8);1,3H2,(H,4,5)
InChIKeyVCZYUOIZRTWWCT-UHFFFAOYSA-N
MW316.10 g/mol
LogP-1.49
Rot. Bonds1

About 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine

2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine (PubChem CID 159967357) has the molecular formula C5H13IN6O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine.

Molecular Properties

Compound Name2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
PubChem CID159967357
Molecular FormulaC5H13IN6O2
Molecular Weight316.10 g/mol
Exact Mass316.01
IUPAC Name2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
SMILESNCC(=O)O.[H]/N=C(/N=C(N)N)N(C)I
InChIInChI=1S/C3H8IN5.C2H5NO2/c1-9(4)3(7)8-2(5)6;3-1-2(4)5/h1H3,(H5,5,6,7,8);1,3H2,(H,4,5)
InChIKeyVCZYUOIZRTWWCT-UHFFFAOYSA-N
XLogP-1.49
TPSA154.81 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
2-aminoacetic acid;2-methylguanidine
CID 175416544
3-(diaminomethylidene)-1,1-dimethylguanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 23643140
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
3-[(2-deuteriooxy-4-hydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 90479987
2-aminoacetic acid;oxocopper
CID 158791680
1-iodo-1-methylguanidine
CID 174838872
3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
CID 175345230
3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
CID 20543702

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine?
The IUPAC name of 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine (CID 159967357) is 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine.
What is the SMILES notation for 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine?
The canonical SMILES for 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine is NCC(=O)O.[H]/N=C(/N=C(N)N)N(C)I.
What is the InChIKey of 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine?
The InChIKey is VCZYUOIZRTWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IN5.C2H5NO2/c1-9(4)3(7)8-2(5)6;3-1-2(4)5/h1H3,(H5,5,6,7,8);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine?
2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine has a molecular weight of 316.10 g/mol, XLogP of -1.49, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine is sourced from PubChem (CID 159967357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).