2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid

C9H16ClNO2 — CID 60834699

IUPAC2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid
SMILESC=C(Cl)CN(CC(=O)O)C(C)CC
InChIInChI=1S/C9H16ClNO2/c1-4-8(3)11(5-7(2)10)6-9(12)13/h8H,2,4-6H2,1,3H3,(H,12,13)
InChIKeyBVODBHSHJOKZML-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.92
Rot. Bonds6

About 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid

2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid (PubChem CID 60834699) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid
PubChem CID60834699
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid
SMILESC=C(Cl)CN(CC(=O)O)C(C)CC
InChIInChI=1S/C9H16ClNO2/c1-4-8(3)11(5-7(2)10)6-9(12)13/h8H,2,4-6H2,1,3H3,(H,12,13)
InChIKeyBVODBHSHJOKZML-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid (CID 60834699) is 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid is C=C(Cl)CN(CC(=O)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid?
The InChIKey is BVODBHSHJOKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-4-8(3)11(5-7(2)10)6-9(12)13/h8H,2,4-6H2,1,3H3,(H,12,13).
What are the key properties of 2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid?
2-[butan-2-yl(2-chloroprop-2-enyl)amino]acetic acid has a molecular weight of 205.68 g/mol, XLogP of 1.92, 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(2-chloroprop-2-enyl)amino]acetic acid is sourced from PubChem (CID 60834699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).