propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate

C10H19NO2 — CID 82762646

IUPACpropan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1(C)CCCC1N
InChIInChI=1S/C10H19NO2/c1-7(2)13-9(12)10(3)6-4-5-8(10)11/h7-8H,4-6,11H2,1-3H3
InChIKeyNXRNHVGOOABEGV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate

propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82762646) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82762646
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1(C)CCCC1N
InChIInChI=1S/C10H19NO2/c1-7(2)13-9(12)10(3)6-4-5-8(10)11/h7-8H,4-6,11H2,1-3H3
InChIKeyNXRNHVGOOABEGV-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate (CID 82762646) is propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate is CC(C)OC(=O)C1(C)CCCC1N.
What is the InChIKey of propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is NXRNHVGOOABEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)13-9(12)10(3)6-4-5-8(10)11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate?
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82762646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).