methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate

C9H17NO3 — CID 58606445

IUPACmethyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
SMILESCOC(=O)C(C)(N)C/C=C\CCO
InChIInChI=1S/C9H17NO3/c1-9(10,8(12)13-2)6-4-3-5-7-11/h3-4,11H,5-7,10H2,1-2H3/b4-3-
InChIKeySDFOXYMQWLWNQE-ARJAWSKDSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds5

About methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate

methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate (PubChem CID 58606445) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
PubChem CID58606445
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
SMILESCOC(=O)C(C)(N)C/C=C\CCO
InChIInChI=1S/C9H17NO3/c1-9(10,8(12)13-2)6-4-3-5-7-11/h3-4,11H,5-7,10H2,1-2H3/b4-3-
InChIKeySDFOXYMQWLWNQE-ARJAWSKDSA-N
XLogP0.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol
CID 59072756
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;thionyl dichloride;hydrochloride
CID 159097335
methyl (E)-2-amino-7-(2-iminoethylamino)-2-methylhept-5-enoate
CID 141051437
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid
CID 143018071
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
dimethyl 2-methyl-2-[(2E,4E)-nona-2,4-dienyl]propanedioate
CID 10778320

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate?
The IUPAC name of methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate (CID 58606445) is methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate.
What is the SMILES notation for methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate?
The canonical SMILES for methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate is COC(=O)C(C)(N)C/C=C\CCO.
What is the InChIKey of methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate?
The InChIKey is SDFOXYMQWLWNQE-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(10,8(12)13-2)6-4-3-5-7-11/h3-4,11H,5-7,10H2,1-2H3/b4-3-.
What are the key properties of methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate?
methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate has a molecular weight of 187.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate is sourced from PubChem (CID 58606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).