1-aminobutan-2-yl(tert-butyl)carbamic acid

C9H20N2O2 — CID 71650298

IUPAC1-aminobutan-2-yl(tert-butyl)carbamic acid
SMILESCCC(CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-5-7(6-10)11(8(12)13)9(2,3)4/h7H,5-6,10H2,1-4H3,(H,12,13)
InChIKeyXXWOWPMGZQOQEV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.50
Rot. Bonds3

About 1-aminobutan-2-yl(tert-butyl)carbamic acid

1-aminobutan-2-yl(tert-butyl)carbamic acid (PubChem CID 71650298) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-aminobutan-2-yl(tert-butyl)carbamic acid.

Molecular Properties

Compound Name1-aminobutan-2-yl(tert-butyl)carbamic acid
PubChem CID71650298
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-aminobutan-2-yl(tert-butyl)carbamic acid
SMILESCCC(CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-5-7(6-10)11(8(12)13)9(2,3)4/h7H,5-6,10H2,1-4H3,(H,12,13)
InChIKeyXXWOWPMGZQOQEV-UHFFFAOYSA-N
XLogP1.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-2-yl(tert-butyl)carbamic acid?
The IUPAC name of 1-aminobutan-2-yl(tert-butyl)carbamic acid (CID 71650298) is 1-aminobutan-2-yl(tert-butyl)carbamic acid.
What is the SMILES notation for 1-aminobutan-2-yl(tert-butyl)carbamic acid?
The canonical SMILES for 1-aminobutan-2-yl(tert-butyl)carbamic acid is CCC(CN)N(C(=O)O)C(C)(C)C.
What is the InChIKey of 1-aminobutan-2-yl(tert-butyl)carbamic acid?
The InChIKey is XXWOWPMGZQOQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-7(6-10)11(8(12)13)9(2,3)4/h7H,5-6,10H2,1-4H3,(H,12,13).
What are the key properties of 1-aminobutan-2-yl(tert-butyl)carbamic acid?
1-aminobutan-2-yl(tert-butyl)carbamic acid has a molecular weight of 188.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-2-yl(tert-butyl)carbamic acid is sourced from PubChem (CID 71650298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).