tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate

C11H20ClNO3 — CID 118216477

IUPACtert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(O)CCl)C1CC1
InChIInChI=1S/C11H20ClNO3/c1-11(2,3)16-10(15)13-9(7-4-5-7)8(14)6-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyMZJVGEPKHFHQMK-YGPZHTELSA-N
MW249.74 g/mol
LogP1.89
Rot. Bonds4

About tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate

tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate (PubChem CID 118216477) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
PubChem CID118216477
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Nametert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(O)CCl)C1CC1
InChIInChI=1S/C11H20ClNO3/c1-11(2,3)16-10(15)13-9(7-4-5-7)8(14)6-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyMZJVGEPKHFHQMK-YGPZHTELSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3S)-3-cyclopropyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 139807127
tert-butyl N-[(2R,3S)-1,4-dichloro-3-hydroxybutan-2-yl]carbamate
CID 11368909
tert-butyl N-[(1S,2S)-1-cyclopropyl-2-hydroxy-2-(methoxymethylamino)ethyl]carbamate
CID 170943611
tert-butyl N-(1-chloro-2-hydroxy-5-methylhexan-3-yl)carbamate
CID 14180814
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
4,4-dicyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170907354
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-(1,2-dichloroethyl)carbamate
CID 174868050
tert-butyl N-(4-chloro-3-hydroxy-2-sulfanylbutyl)carbamate
CID 123740502
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
tert-butyl (5R)-5-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 164726182

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate (CID 118216477) is tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate is CC(C)(C)OC(=O)N[C@@H](C(O)CCl)C1CC1.
What is the InChIKey of tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate?
The InChIKey is MZJVGEPKHFHQMK-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-11(2,3)16-10(15)13-9(7-4-5-7)8(14)6-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t8?,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate?
tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate has a molecular weight of 249.74 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate is sourced from PubChem (CID 118216477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).