tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate

C13H26N2O3 — CID 90323073

IUPACtert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
SMILESCC(C)NC[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C13H26N2O3/c1-9(2)14-8-13(6-10(13)7-16)15-11(17)18-12(3,4)5/h9-10,14,16H,6-8H2,1-5H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyFTHWPZRDVZSWAV-ZWNOBZJWSA-N
MW258.36 g/mol
LogP1.26
Rot. Bonds5

About tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate

tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate (PubChem CID 90323073) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
PubChem CID90323073
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
SMILESCC(C)NC[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C13H26N2O3/c1-9(2)14-8-13(6-10(13)7-16)15-11(17)18-12(3,4)5/h9-10,14,16H,6-8H2,1-5H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyFTHWPZRDVZSWAV-ZWNOBZJWSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10988547
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[(1R,5S)-2-(2-oxoethyl)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]carbamate
CID 87517304
tert-butyl N-[(1S,2S)-2-(2-azidoethyl)-1-(hydroxymethyl)cyclopropyl]carbamate
CID 134860102
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-(cyanomethyl)-2-propan-2-ylcyclopropyl]carbamate
CID 84799291
ethyl (2R,3S,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 10924119
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
ethyl (2R,3R,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 11044328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate (CID 90323073) is tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate is CC(C)NC[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1CO.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate?
The InChIKey is FTHWPZRDVZSWAV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)14-8-13(6-10(13)7-16)15-11(17)18-12(3,4)5/h9-10,14,16H,6-8H2,1-5H3,(H,15,17)/t10-,13-/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate?
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate is sourced from PubChem (CID 90323073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).