2-(diaminomethylideneamino)acetic acid;1,4-xylene

C11H17N3O2 — CID 174978507

IUPAC2-(diaminomethylideneamino)acetic acid;1,4-xylene
SMILESCc1ccc(C)cc1.NC(N)=NCC(=O)O
InChIInChI=1S/C8H10.C3H7N3O2/c1-7-3-5-8(2)6-4-7;4-3(5)6-1-2(7)8/h3-6H,1-2H3;1H2,(H,7,8)(H4,4,5,6)
InChIKeyNMGYXCRWFCCCHI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.65
Rot. Bonds2

About 2-(diaminomethylideneamino)acetic acid;1,4-xylene

2-(diaminomethylideneamino)acetic acid;1,4-xylene (PubChem CID 174978507) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)acetic acid;1,4-xylene.

Molecular Properties

Compound Name2-(diaminomethylideneamino)acetic acid;1,4-xylene
PubChem CID174978507
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(diaminomethylideneamino)acetic acid;1,4-xylene
SMILESCc1ccc(C)cc1.NC(N)=NCC(=O)O
InChIInChI=1S/C8H10.C3H7N3O2/c1-7-3-5-8(2)6-4-7;4-3(5)6-1-2(7)8/h3-6H,1-2H3;1H2,(H,7,8)(H4,4,5,6)
InChIKeyNMGYXCRWFCCCHI-UHFFFAOYSA-N
XLogP0.65
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-aminoacetic acid;ethane;1,4-xylene
CID 143195135
carbonic acid;1,4-xylene
CID 89415214
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
dodecanedioic acid;1,4-xylene
CID 66586315
ethane;4-methylaniline;propanoic acid
CID 143544103
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
bis(decanedioic acid);tetrakis(4-methylbenzamide)
CID 139195155
acetic acid;guanidine;toluene
CID 160673337
2-amino-4-methylsulfanylbutanoic acid;2-(diaminomethylideneamino)acetic acid
CID 25151356
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid;4-methylbenzenesulfonic acid
CID 88753094

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)acetic acid;1,4-xylene?
The IUPAC name of 2-(diaminomethylideneamino)acetic acid;1,4-xylene (CID 174978507) is 2-(diaminomethylideneamino)acetic acid;1,4-xylene.
What is the SMILES notation for 2-(diaminomethylideneamino)acetic acid;1,4-xylene?
The canonical SMILES for 2-(diaminomethylideneamino)acetic acid;1,4-xylene is Cc1ccc(C)cc1.NC(N)=NCC(=O)O.
What is the InChIKey of 2-(diaminomethylideneamino)acetic acid;1,4-xylene?
The InChIKey is NMGYXCRWFCCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H7N3O2/c1-7-3-5-8(2)6-4-7;4-3(5)6-1-2(7)8/h3-6H,1-2H3;1H2,(H,7,8)(H4,4,5,6).
What are the key properties of 2-(diaminomethylideneamino)acetic acid;1,4-xylene?
2-(diaminomethylideneamino)acetic acid;1,4-xylene has a molecular weight of 223.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)acetic acid;1,4-xylene is sourced from PubChem (CID 174978507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).