tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate

C15H28N2O3 — CID 18453496

IUPACtert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMJYUBLSKRVSMPK-QWHCGFSZSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate (PubChem CID 18453496) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate
PubChem CID18453496
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMJYUBLSKRVSMPK-QWHCGFSZSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate (CID 18453496) is tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate?
The InChIKey is MJYUBLSKRVSMPK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-13-5-4-12(10-13)11-17-6-8-19-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(morpholin-4-ylmethyl)cyclopentyl]carbamate is sourced from PubChem (CID 18453496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).