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

C12H25NO2 — CID 25171533

IUPACtert-butyl N-[(2R)-heptan-2-yl]carbamate
SMILESCCCCC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)/t10-/m1/s1
InChIKeyDKWZSEYPQRRCOY-SNVBAGLBSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds5

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

tert-butyl N-[(2R)-heptan-2-yl]carbamate (PubChem CID 25171533) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-heptan-2-yl]carbamate
PubChem CID25171533
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-[(2R)-heptan-2-yl]carbamate
SMILESCCCCC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)/t10-/m1/s1
InChIKeyDKWZSEYPQRRCOY-SNVBAGLBSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419
tert-butyl N-[(2R)-7-aminoheptan-2-yl]carbamate;hydrochloride
CID 167718807
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
tert-butyl N-[1-(hexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62201361
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
tert-butyl N-[(2S)-5-oxooctan-2-yl]carbamate
CID 138481067
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-heptan-2-yl]carbamate (CID 25171533) is tert-butyl N-[(2R)-heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-heptan-2-yl]carbamate is CCCCC[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-heptan-2-yl]carbamate?
The InChIKey is DKWZSEYPQRRCOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-8-9-10(2)13-11(14)15-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-heptan-2-yl]carbamate?
tert-butyl N-[(2R)-heptan-2-yl]carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-heptan-2-yl]carbamate is sourced from PubChem (CID 25171533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).