3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid

C7H17N5O3 — CID 46892505

IUPAC3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5.C3H6O3/c1-9(2)4(7)8-3(5)6;1-2(4)3(5)6/h1-2H3,(H5,5,6,7,8);2,4H,1H3,(H,5,6)
InChIKeyZHELAHPEMIIBKC-UHFFFAOYSA-N
MW219.25 g/mol
LogP-1.79
Rot. Bonds1

About 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid

3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid (PubChem CID 46892505) has the molecular formula C7H17N5O3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
PubChem CID46892505
Molecular FormulaC7H17N5O3
Molecular Weight219.25 g/mol
Exact Mass219.13
IUPAC Name3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5.C3H6O3/c1-9(2)4(7)8-3(5)6;1-2(4)3(5)6/h1-2H3,(H5,5,6,7,8);2,4H,1H3,(H,5,6)
InChIKeyZHELAHPEMIIBKC-UHFFFAOYSA-N
XLogP-1.79
TPSA149.02 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-1.79
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'}

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Related Compounds

acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
CID 159967357
3-[(2-deuteriooxy-4-hydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 90479987
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
2-[carbamimidoyl(methyl)amino]-2-(2-hydroxypropanoyloxy)acetic acid
CID 141283328
3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54738629
3-(diaminomethylidene)-1,1-dimethylguanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 23643140
3-(diaminomethylidene)-1,1-dimethylguanidine;2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 71471331
3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
CID 91885566
1-(1-hydroxyethyl)-1-methylguanidine
CID 21449246
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid?
The IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid (CID 46892505) is 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid?
The canonical SMILES for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid is CC(O)C(=O)O.[H]/N=C(/N=C(N)N)N(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid?
The InChIKey is ZHELAHPEMIIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.C3H6O3/c1-9(2)4(7)8-3(5)6;1-2(4)3(5)6/h1-2H3,(H5,5,6,7,8);2,4H,1H3,(H,5,6).
What are the key properties of 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid?
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid has a molecular weight of 219.25 g/mol, XLogP of -1.79, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid is sourced from PubChem (CID 46892505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).