(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate

C12H24N2O2 — CID 166763488

IUPAC(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate
SMILESCC(C)C1(OC(=O)C(C)(N)CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(6-4-5-7-12)16-10(15)11(3,14)8-13/h9H,4-8,13-14H2,1-3H3
InChIKeyNUQOFJPQYROPGN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds4

About (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate

(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate (PubChem CID 166763488) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate
PubChem CID166763488
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate
SMILESCC(C)C1(OC(=O)C(C)(N)CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(6-4-5-7-12)16-10(15)11(3,14)8-13/h9H,4-8,13-14H2,1-3H3
InChIKeyNUQOFJPQYROPGN-UHFFFAOYSA-N
XLogP1.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate (CID 166763488) is (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate is CC(C)C1(OC(=O)C(C)(N)CN)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate?
The InChIKey is NUQOFJPQYROPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)12(6-4-5-7-12)16-10(15)11(3,14)8-13/h9H,4-8,13-14H2,1-3H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate?
(1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 2,3-diamino-2-methylpropanoate is sourced from PubChem (CID 166763488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).