(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C13H24N2O2 — CID 107220062

IUPAC(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)13(17)7-15(8-13)11(16)12(3)6-4-5-10(12)14/h9-10,17H,4-8,14H2,1-3H3
InChIKeyNLNFPPHOYFTMCN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107220062) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107220062
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)13(17)7-15(8-13)11(16)12(3)6-4-5-10(12)14/h9-10,17H,4-8,14H2,1-3H3
InChIKeyNLNFPPHOYFTMCN-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107220062) is (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)C2(C)CCCC2N)C1.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is NLNFPPHOYFTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)13(17)7-15(8-13)11(16)12(3)6-4-5-10(12)14/h9-10,17H,4-8,14H2,1-3H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107220062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).