tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate

C9H18ClNO2 — CID 143051612

IUPACtert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate
SMILESC[C@H](CCCl)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyDLIYJYQTVMUHFQ-SSDOTTSWSA-N
MW207.70 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate

tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate (PubChem CID 143051612) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate
PubChem CID143051612
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nametert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate
SMILESC[C@H](CCCl)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18ClNO2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1
InChIKeyDLIYJYQTVMUHFQ-SSDOTTSWSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Boc-3-Chloropropylamine
CID 10932310
tert-butyl N-(4-chloro-3-oxobutan-2-yl)carbamate
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tert-butyl N-((2S)-4-chloro-3-oxobutan-2-yl)carbamate
CID 13532962
tert-butyl N-(2-chloropropyl)carbamate
CID 45091868
rac-tert-butyl N-[(1r,3r)-3-chlorocyclobutyl]carbamate
CID 45092054
tert-butyl N-[(2R)-4-chloro-3-oxobutan-2-yl]carbamate
CID 96482004
(R)-tert-Butyl sec-butylcarbamate
CID 14663479
tert-butyl N-(3-chloro-2-methylpropyl)carbamate
CID 114302662
tert-butyl N-[(2S)-1-chloro-3-methylbutan-2-yl]carbamate
CID 129987267
(S)-tert-Butyl sec-butylcarbamate
CID 88439188
tert-butyl N-(3-chloro-2-fluoro-2-methylpropyl)carbamate
CID 163929056
tert-butyl N-(3-chloropropyl)carbamate;hydrochloride
CID 139250493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate (CID 143051612) is tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate is C[C@H](CCCl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate?
The InChIKey is DLIYJYQTVMUHFQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate?
tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate has a molecular weight of 207.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-chlorobutan-2-yl]carbamate is sourced from PubChem (CID 143051612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).