methyl 2-amino-3-methylpent-4-enoate

C7H13NO2 — CID 15609996

IUPACmethyl 2-amino-3-methylpent-4-enoate
SMILESC=CC(C)C(N)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5(2)6(8)7(9)10-3/h4-6H,1,8H2,2-3H3
InChIKeyFBJOIJMLWUNGFB-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-amino-3-methylpent-4-enoate

methyl 2-amino-3-methylpent-4-enoate (PubChem CID 15609996) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-amino-3-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-amino-3-methylpent-4-enoate
PubChem CID15609996
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-amino-3-methylpent-4-enoate
SMILESC=CC(C)C(N)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5(2)6(8)7(9)10-3/h4-6H,1,8H2,2-3H3
InChIKeyFBJOIJMLWUNGFB-UHFFFAOYSA-N
XLogP0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
methyl 2-ethenyl-3-methylpent-4-enoate
CID 143849017
methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
CID 143356405
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
methyl 2-aminopropanoate
CID 159707893
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl 2-ethenyl-4-methylpentanoate
CID 143585264

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methylpent-4-enoate?
The IUPAC name of methyl 2-amino-3-methylpent-4-enoate (CID 15609996) is methyl 2-amino-3-methylpent-4-enoate.
What is the SMILES notation for methyl 2-amino-3-methylpent-4-enoate?
The canonical SMILES for methyl 2-amino-3-methylpent-4-enoate is C=CC(C)C(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-3-methylpent-4-enoate?
The InChIKey is FBJOIJMLWUNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)6(8)7(9)10-3/h4-6H,1,8H2,2-3H3.
What are the key properties of methyl 2-amino-3-methylpent-4-enoate?
methyl 2-amino-3-methylpent-4-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methylpent-4-enoate is sourced from PubChem (CID 15609996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).