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

C11H21NO5 — CID 11368613

IUPAC(2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12-8(9(14)15)6-4-5-7-13/h8,13H,4-7H2,1-3H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyBRFDKSWARKFUGQ-QMMMGPOBSA-N
MW247.29 g/mol
LogP1.13
Rot. Bonds6

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

(2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 11368613) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID11368613
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12-8(9(14)15)6-4-5-7-13/h8,13H,4-7H2,1-3H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyBRFDKSWARKFUGQ-QMMMGPOBSA-N
XLogP1.13
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.13
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

N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
CID 100148
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
Boc-Lys(For)-OH
CID 100095
2-(((Tert-butoxy)carbonyl)amino)hexanoic acid
CID 333435
N-tert-Butoxycarbonyl-L-norleucine
CID 2733747
(S)-2-(tert-butoxycarbonylamino)-6-((prop-2-ynyloxy)carbonylamino)hexanoic acid
CID 46226879
2-Amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid
CID 544580
(2R)-2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CID 7018774
(2S)-5-amino-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid
CID 7018784
(2S)-2-amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid
CID 2733283
epsilon-tert-Butyloxycarbonyl-lysine
CID 2733284

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 11368613) is (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)O.
What is the InChIKey of (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is BRFDKSWARKFUGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12-8(9(14)15)6-4-5-7-13/h8,13H,4-7H2,1-3H3,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 11368613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).