tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate

C11H22N2O3 — CID 130649334

IUPACtert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-6-12-8-4-5-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyXFKKJVZLIWMIPB-RKDXNWHRSA-N
MW230.31 g/mol
LogP0.62
Rot. Bonds4

About tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate (PubChem CID 130649334) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
PubChem CID130649334
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-6-12-8-4-5-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyXFKKJVZLIWMIPB-RKDXNWHRSA-N
XLogP0.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 115607086
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tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
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tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
CID 141409731
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
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tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
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tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
CID 15503758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate (CID 130649334) is tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN[C@@H]1CC[C@H]1O.
What is the InChIKey of tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate?
The InChIKey is XFKKJVZLIWMIPB-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-6-12-8-4-5-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate is sourced from PubChem (CID 130649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).