2-amino-4-methylidenepentanedioic acid;hydrochloride

C6H10ClNO4 — CID 15600654

IUPAC2-amino-4-methylidenepentanedioic acid;hydrochloride
SMILESC=C(CC(N)C(=O)O)C(=O)O.Cl
InChIInChI=1S/C6H9NO4.ClH/c1-3(5(8)9)2-4(7)6(10)11;/h4H,1-2,7H2,(H,8,9)(H,10,11);1H
InChIKeyCTZYRIPUUNZVJK-UHFFFAOYSA-N
MW195.60 g/mol
LogP-0.15
Rot. Bonds4

About 2-amino-4-methylidenepentanedioic acid;hydrochloride

2-amino-4-methylidenepentanedioic acid;hydrochloride (PubChem CID 15600654) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is 2-amino-4-methylidenepentanedioic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylidenepentanedioic acid;hydrochloride
PubChem CID15600654
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Name2-amino-4-methylidenepentanedioic acid;hydrochloride
SMILESC=C(CC(N)C(=O)O)C(=O)O.Cl
InChIInChI=1S/C6H9NO4.ClH/c1-3(5(8)9)2-4(7)6(10)11;/h4H,1-2,7H2,(H,8,9)(H,10,11);1H
InChIKeyCTZYRIPUUNZVJK-UHFFFAOYSA-N
XLogP-0.15
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylidenepentanedioic acid;hydrochloride?
The IUPAC name of 2-amino-4-methylidenepentanedioic acid;hydrochloride (CID 15600654) is 2-amino-4-methylidenepentanedioic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-methylidenepentanedioic acid;hydrochloride?
The canonical SMILES for 2-amino-4-methylidenepentanedioic acid;hydrochloride is C=C(CC(N)C(=O)O)C(=O)O.Cl.
What is the InChIKey of 2-amino-4-methylidenepentanedioic acid;hydrochloride?
The InChIKey is CTZYRIPUUNZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4.ClH/c1-3(5(8)9)2-4(7)6(10)11;/h4H,1-2,7H2,(H,8,9)(H,10,11);1H.
What are the key properties of 2-amino-4-methylidenepentanedioic acid;hydrochloride?
2-amino-4-methylidenepentanedioic acid;hydrochloride has a molecular weight of 195.60 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylidenepentanedioic acid;hydrochloride is sourced from PubChem (CID 15600654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).