2-amino-3-methyl-2-propylpent-4-enoic acid

C9H17NO2 — CID 11062857

IUPAC2-amino-3-methyl-2-propylpent-4-enoic acid
SMILESC=CC(C)C(N)(CCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-4-6-9(10,8(11)12)7(3)5-2/h5,7H,2,4,6,10H2,1,3H3,(H,11,12)
InChIKeyMFGQDOFHDRSPAI-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-3-methyl-2-propylpent-4-enoic acid

2-amino-3-methyl-2-propylpent-4-enoic acid (PubChem CID 11062857) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-3-methyl-2-propylpent-4-enoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-2-propylpent-4-enoic acid
PubChem CID11062857
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-amino-3-methyl-2-propylpent-4-enoic acid
SMILESC=CC(C)C(N)(CCC)C(=O)O
InChIInChI=1S/C9H17NO2/c1-4-6-9(10,8(11)12)7(3)5-2/h5,7H,2,4,6,10H2,1,3H3,(H,11,12)
InChIKeyMFGQDOFHDRSPAI-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2-propylpent-4-enoic acid?
The IUPAC name of 2-amino-3-methyl-2-propylpent-4-enoic acid (CID 11062857) is 2-amino-3-methyl-2-propylpent-4-enoic acid.
What is the SMILES notation for 2-amino-3-methyl-2-propylpent-4-enoic acid?
The canonical SMILES for 2-amino-3-methyl-2-propylpent-4-enoic acid is C=CC(C)C(N)(CCC)C(=O)O.
What is the InChIKey of 2-amino-3-methyl-2-propylpent-4-enoic acid?
The InChIKey is MFGQDOFHDRSPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-9(10,8(11)12)7(3)5-2/h5,7H,2,4,6,10H2,1,3H3,(H,11,12).
What are the key properties of 2-amino-3-methyl-2-propylpent-4-enoic acid?
2-amino-3-methyl-2-propylpent-4-enoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2-propylpent-4-enoic acid is sourced from PubChem (CID 11062857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).