3-amino-2-propylpent-2-enoic acid

C8H15NO2 — CID 70379668

IUPAC3-amino-2-propylpent-2-enoic acid
SMILESCCCC(C(=O)O)=C(N)CC
InChIInChI=1S/C8H15NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyWHCUSYHAKVCNSH-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-2-propylpent-2-enoic acid

3-amino-2-propylpent-2-enoic acid (PubChem CID 70379668) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-2-propylpent-2-enoic acid.

Molecular Properties

Compound Name3-amino-2-propylpent-2-enoic acid
PubChem CID70379668
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-2-propylpent-2-enoic acid
SMILESCCCC(C(=O)O)=C(N)CC
InChIInChI=1S/C8H15NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H2,1-2H3,(H,10,11)
InChIKeyWHCUSYHAKVCNSH-UHFFFAOYSA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-amino-2-propylpent-2-enoic acid?
The IUPAC name of 3-amino-2-propylpent-2-enoic acid (CID 70379668) is 3-amino-2-propylpent-2-enoic acid.
What is the SMILES notation for 3-amino-2-propylpent-2-enoic acid?
The canonical SMILES for 3-amino-2-propylpent-2-enoic acid is CCCC(C(=O)O)=C(N)CC.
What is the InChIKey of 3-amino-2-propylpent-2-enoic acid?
The InChIKey is WHCUSYHAKVCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-2-propylpent-2-enoic acid?
3-amino-2-propylpent-2-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-propylpent-2-enoic acid is sourced from PubChem (CID 70379668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).