(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C11H22N2O4 — CID 2733283

IUPAC(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyVVQIIIAZJXTLRE-QMMMGPOBSA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds6

About (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 2733283) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID2733283
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyVVQIIIAZJXTLRE-QMMMGPOBSA-N
XLogP1.09
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-Butoxycarbonyl-L-isoleucine
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N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
CID 100148
2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
CID 268473
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
CID 433623
tert-Butoxycarbonyl-D-leucine
CID 637604
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
N-Boc-L-Leucine Hydrate
CID 12373896
N~2~-(tert-butoxycarbonyl)-N~6~-formyllysine
CID 100095

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 2733283) is (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is VVQIIIAZJXTLRE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 2733283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).