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

C16H30N2O6 — CID 7349648

IUPAC(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyFBVSXKMMQOZUNU-NSHDSACASA-N
MW346.42 g/mol
LogP2.66
Rot. Bonds7

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

(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 7349648) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID7349648
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyFBVSXKMMQOZUNU-NSHDSACASA-N
XLogP2.66
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Elapegademase
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tert-Butoxycarbonyl-L-isoleucine
CID 2724762
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
2-{[(Tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid
CID 433635
tert-Butoxycarbonyl-D-leucine
CID 637604
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
N-Boc-L-Leucine Hydrate
CID 12373896

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 7349648) is (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is FBVSXKMMQOZUNU-NSHDSACASA-N. The full InChI is InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 346.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 7349648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).