2-[[amino(propylamino)methylidene]amino]acetic acid

C6H13N3O2 — CID 87703719

IUPAC2-[[amino(propylamino)methylidene]amino]acetic acid
SMILESCCCN/C(N)=N/CC(=O)O
InChIInChI=1S/C6H13N3O2/c1-2-3-8-6(7)9-4-5(10)11/h2-4H2,1H3,(H,10,11)(H3,7,8,9)
InChIKeyWECQQPSGRSWADI-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.61
Rot. Bonds4

About 2-[[amino(propylamino)methylidene]amino]acetic acid

2-[[amino(propylamino)methylidene]amino]acetic acid (PubChem CID 87703719) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[[amino(propylamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[amino(propylamino)methylidene]amino]acetic acid
PubChem CID87703719
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-[[amino(propylamino)methylidene]amino]acetic acid
SMILESCCCN/C(N)=N/CC(=O)O
InChIInChI=1S/C6H13N3O2/c1-2-3-8-6(7)9-4-5(10)11/h2-4H2,1H3,(H,10,11)(H3,7,8,9)
InChIKeyWECQQPSGRSWADI-UHFFFAOYSA-N
XLogP-0.61
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.61
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-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032059
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propylguanidine;hydroiodide
CID 111088896
tert-butyl 2-[[amino(butylamino)methylidene]amino]acetate
CID 111801490
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-(2-methyl-2-methylsulfonylpropyl)-1-propylguanidine;hydroiodide
CID 111696158

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(propylamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[amino(propylamino)methylidene]amino]acetic acid (CID 87703719) is 2-[[amino(propylamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[amino(propylamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[amino(propylamino)methylidene]amino]acetic acid is CCCN/C(N)=N/CC(=O)O.
What is the InChIKey of 2-[[amino(propylamino)methylidene]amino]acetic acid?
The InChIKey is WECQQPSGRSWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-3-8-6(7)9-4-5(10)11/h2-4H2,1H3,(H,10,11)(H3,7,8,9).
What are the key properties of 2-[[amino(propylamino)methylidene]amino]acetic acid?
2-[[amino(propylamino)methylidene]amino]acetic acid has a molecular weight of 159.19 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(propylamino)methylidene]amino]acetic acid is sourced from PubChem (CID 87703719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).