3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride

C7H15ClN2O2 — CID 174613902

IUPAC3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
SMILESCC(C)/C(N)=N/CCC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-5(2)7(8)9-4-3-6(10)11;/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11);1H
InChIKeyGJMLHBBGSAASMP-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.90
Rot. Bonds4

About 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride

3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride (PubChem CID 174613902) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
PubChem CID174613902
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
SMILESCC(C)/C(N)=N/CCC(=O)O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-5(2)7(8)9-4-3-6(10)11;/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11);1H
InChIKeyGJMLHBBGSAASMP-UHFFFAOYSA-N
XLogP0.90
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

3-[[1-amino-3-[[3-amino-3-(2-carboxyethylimino)-2-methylpropyl]diazenyl]-2-methylpropylidene]amino]propanoic acid;hydrate
CID 175948850
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
CID 106280324
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
3-[[amino-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]amino]propanoic acid
CID 87809677
N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide
CID 63173155
acetamide;butanedioic acid
CID 175267619
2,5-dimethylhexan-2-ol;N'-hydroxy-2-methylpropanimidamide;4-methylpentanenitrile;4-methylpentanoic acid
CID 172984566
3-amino-2-methyl-3-propyliminopropanamide
CID 154311434
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid
CID 18795128
N'-(2-butoxyethyl)-2-methylpropanimidamide
CID 63177473

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride (CID 174613902) is 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride is CC(C)/C(N)=N/CCC(=O)O.Cl.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride?
The InChIKey is GJMLHBBGSAASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-5(2)7(8)9-4-3-6(10)11;/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11);1H.
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride?
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 174613902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).