tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate

C17H32N2O3 — CID 99782010

IUPACtert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC1CCC(O)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)18-11-12-5-4-6-15(12)19-13-7-9-14(20)10-8-13/h12-15,19-20H,4-11H2,1-3H3,(H,18,21)/t12-,13?,14?,15+/m0/s1
InChIKeyBMGLUUMFBKTEGR-VXGQWTEUSA-N
MW312.45 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 99782010) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
PubChem CID99782010
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC1CCC(O)CC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)18-11-12-5-4-6-15(12)19-13-7-9-14(20)10-8-13/h12-15,19-20H,4-11H2,1-3H3,(H,18,21)/t12-,13?,14?,15+/m0/s1
InChIKeyBMGLUUMFBKTEGR-VXGQWTEUSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[[2-[(2-methyloxan-4-yl)amino]cyclopentyl]methyl]carbamate
CID 103910973
tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103819112
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate (CID 99782010) is tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is BMGLUUMFBKTEGR-VXGQWTEUSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(21)18-11-12-5-4-6-15(12)19-13-7-9-14(20)10-8-13/h12-15,19-20H,4-11H2,1-3H3,(H,18,21)/t12-,13?,14?,15+/m0/s1.
What are the key properties of tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 99782010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).