tert-butyl (2R)-2,6-diaminohexanoate

C10H22N2O2 — CID 92978498

IUPACtert-butyl (2R)-2,6-diaminohexanoate
SMILESCC(C)(C)OC(=O)[C@H](N)CCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(12)6-4-5-7-11/h8H,4-7,11-12H2,1-3H3/t8-/m1/s1
InChIKeyUCORYUPEVCQOAL-MRVPVSSYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds5

About tert-butyl (2R)-2,6-diaminohexanoate

tert-butyl (2R)-2,6-diaminohexanoate (PubChem CID 92978498) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl (2R)-2,6-diaminohexanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2,6-diaminohexanoate
PubChem CID92978498
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl (2R)-2,6-diaminohexanoate
SMILESCC(C)(C)OC(=O)[C@H](N)CCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(12)6-4-5-7-11/h8H,4-7,11-12H2,1-3H3/t8-/m1/s1
InChIKeyUCORYUPEVCQOAL-MRVPVSSYSA-N
XLogP0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
1,1-diisocyanoethyl (2S)-2,6-diaminohexanoate
CID 87560082
2-aminobutan-2-yl (2S)-2,6-diaminohexanoate
CID 139681735
tert-butyl (5S)-5,9-diamino-2-methyl-4-oxononanoate
CID 173196777
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
tert-butyl 4,8-diaminooctanoate
CID 155444691
tert-butyl 2-(4-aminobutyl)-5-methylhexanoate
CID 151498461

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2,6-diaminohexanoate?
The IUPAC name of tert-butyl (2R)-2,6-diaminohexanoate (CID 92978498) is tert-butyl (2R)-2,6-diaminohexanoate.
What is the SMILES notation for tert-butyl (2R)-2,6-diaminohexanoate?
The canonical SMILES for tert-butyl (2R)-2,6-diaminohexanoate is CC(C)(C)OC(=O)[C@H](N)CCCCN.
What is the InChIKey of tert-butyl (2R)-2,6-diaminohexanoate?
The InChIKey is UCORYUPEVCQOAL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8(12)6-4-5-7-11/h8H,4-7,11-12H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2,6-diaminohexanoate?
tert-butyl (2R)-2,6-diaminohexanoate has a molecular weight of 202.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2,6-diaminohexanoate is sourced from PubChem (CID 92978498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).