2-amino-4-[di(propan-2-yl)amino]butanoic acid

C10H22N2O2 — CID 12833059

IUPAC2-amino-4-[di(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCC(N)C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)6-5-9(11)10(13)14/h7-9H,5-6,11H2,1-4H3,(H,13,14)
InChIKeySKZLUVHVOUTCBS-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-4-[di(propan-2-yl)amino]butanoic acid

2-amino-4-[di(propan-2-yl)amino]butanoic acid (PubChem CID 12833059) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-amino-4-[di(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[di(propan-2-yl)amino]butanoic acid
PubChem CID12833059
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-amino-4-[di(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCC(N)C(=O)O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)6-5-9(11)10(13)14/h7-9H,5-6,11H2,1-4H3,(H,13,14)
InChIKeySKZLUVHVOUTCBS-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[di(propan-2-yl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[di(propan-2-yl)amino]butanoic acid (CID 12833059) is 2-amino-4-[di(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[di(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[di(propan-2-yl)amino]butanoic acid is CC(C)N(CCC(N)C(=O)O)C(C)C.
What is the InChIKey of 2-amino-4-[di(propan-2-yl)amino]butanoic acid?
The InChIKey is SKZLUVHVOUTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)12(8(3)4)6-5-9(11)10(13)14/h7-9H,5-6,11H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-4-[di(propan-2-yl)amino]butanoic acid?
2-amino-4-[di(propan-2-yl)amino]butanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[di(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 12833059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).