(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride

C6H10ClNO4 — CID 46845579

IUPAC(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride
SMILESC=C(C[C@H](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/t4-;/m0./s1
InChIKeyCTZYRIPUUNZVJK-WCCKRBBISA-N
MW195.60 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride

(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride (PubChem CID 46845579) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride
PubChem CID46845579
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Name(2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride
SMILESC=C(C[C@H](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/t4-;/m0./s1
InChIKeyCTZYRIPUUNZVJK-WCCKRBBISA-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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Related Compounds

2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
CID 172728144
CID 172728144
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
CID 174993846
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
CID 131864134
CID 131864134
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
2-aminobutanedioic acid;molybdenum
CID 76550864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride (CID 46845579) is (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride is C=C(C[C@H](N)C(=O)O)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride?
The InChIKey is CTZYRIPUUNZVJK-WCCKRBBISA-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/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride?
(2S)-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 (2S)-2-amino-4-methylidenepentanedioic acid;hydrochloride is sourced from PubChem (CID 46845579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).