2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid

C10H19NO2 — CID 62381587

IUPAC2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid
SMILESC=CC(C)N(CC(=O)O)C(C)CC
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(7-10(12)13)9(4)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyMPRMNCHNXWLRPE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds6

About 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid

2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid (PubChem CID 62381587) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid
PubChem CID62381587
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid
SMILESC=CC(C)N(CC(=O)O)C(C)CC
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(7-10(12)13)9(4)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyMPRMNCHNXWLRPE-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
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-[butan-2-yl(but-3-en-2-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid (CID 62381587) is 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid is C=CC(C)N(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid?
The InChIKey is MPRMNCHNXWLRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(3)11(7-10(12)13)9(4)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid?
2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(but-3-en-2-yl)amino]acetic acid is sourced from PubChem (CID 62381587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).