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

C16H30N2O6 — CID 22792075

IUPAC(2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11(12(19)20)9-7-8-10-17/h11H,7-10,17H2,1-6H3,(H,19,20)/t11-/m0/s1
InChIKeyPILPQAMQDMXSBY-NSHDSACASA-N
MW346.42 g/mol
LogP2.74
Rot. Bonds6

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

(2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid (PubChem CID 22792075) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
PubChem CID22792075
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11(12(19)20)9-7-8-10-17/h11H,7-10,17H2,1-6H3,(H,19,20)/t11-/m0/s1
InChIKeyPILPQAMQDMXSBY-NSHDSACASA-N
XLogP2.74
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N~2~-(tert-butoxycarbonyl)-N~6~-formyllysine
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-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid (CID 22792075) is (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid?
The InChIKey is PILPQAMQDMXSBY-NSHDSACASA-N. The full InChI is InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11(12(19)20)9-7-8-10-17/h11H,7-10,17H2,1-6H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid?
(2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid has a molecular weight of 346.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid is sourced from PubChem (CID 22792075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).