3-aminopropyl 5-amino-2-methylpent-2-enoate

C9H18N2O2 — CID 91562844

IUPAC3-aminopropyl 5-amino-2-methylpent-2-enoate
SMILESCC(=CCCN)C(=O)OCCCN
InChIInChI=1S/C9H18N2O2/c1-8(4-2-5-10)9(12)13-7-3-6-11/h4H,2-3,5-7,10-11H2,1H3
InChIKeyLRNUMXDAKWUPIV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.17
Rot. Bonds6

About 3-aminopropyl 5-amino-2-methylpent-2-enoate

3-aminopropyl 5-amino-2-methylpent-2-enoate (PubChem CID 91562844) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-aminopropyl 5-amino-2-methylpent-2-enoate.

Molecular Properties

Compound Name3-aminopropyl 5-amino-2-methylpent-2-enoate
PubChem CID91562844
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-aminopropyl 5-amino-2-methylpent-2-enoate
SMILESCC(=CCCN)C(=O)OCCCN
InChIInChI=1S/C9H18N2O2/c1-8(4-2-5-10)9(12)13-7-3-6-11/h4H,2-3,5-7,10-11H2,1H3
InChIKeyLRNUMXDAKWUPIV-UHFFFAOYSA-N
XLogP0.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-methylpent-2-enoate
CID 57069789
dodecyl 2-methylhenicos-2-enoate
CID 57172953
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
heptyl 2-methylhexadec-2-enoate
CID 174820936
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
12-aminododecyl 3-hydroxy-2-methylprop-2-enoate
CID 175402225
propyl (E)-2-methylhept-2-enoate
CID 13122849
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
CID 57086518

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl 5-amino-2-methylpent-2-enoate?
The IUPAC name of 3-aminopropyl 5-amino-2-methylpent-2-enoate (CID 91562844) is 3-aminopropyl 5-amino-2-methylpent-2-enoate.
What is the SMILES notation for 3-aminopropyl 5-amino-2-methylpent-2-enoate?
The canonical SMILES for 3-aminopropyl 5-amino-2-methylpent-2-enoate is CC(=CCCN)C(=O)OCCCN.
What is the InChIKey of 3-aminopropyl 5-amino-2-methylpent-2-enoate?
The InChIKey is LRNUMXDAKWUPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(4-2-5-10)9(12)13-7-3-6-11/h4H,2-3,5-7,10-11H2,1H3.
What are the key properties of 3-aminopropyl 5-amino-2-methylpent-2-enoate?
3-aminopropyl 5-amino-2-methylpent-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl 5-amino-2-methylpent-2-enoate is sourced from PubChem (CID 91562844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).