(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

C12H21NO6 — CID 15598212

IUPAC(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCOC(=O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-8(10(15)16)6-5-7-9(14)18-4/h8H,5-7H2,1-4H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyWEEQAYUCVHBXJK-MRVPVSSYSA-N
MW275.30 g/mol
LogP1.31
Rot. Bonds6

About (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid

(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (PubChem CID 15598212) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
PubChem CID15598212
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
SMILESCOC(=O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-8(10(15)16)6-5-7-9(14)18-4/h8H,5-7H2,1-4H3,(H,13,17)(H,15,16)/t8-/m1/s1
InChIKeyWEEQAYUCVHBXJK-MRVPVSSYSA-N
XLogP1.31
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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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
(2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 6993436
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The IUPAC name of (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid (CID 15598212) is (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid.
What is the SMILES notation for (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The canonical SMILES for (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is COC(=O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
The InChIKey is WEEQAYUCVHBXJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-8(10(15)16)6-5-7-9(14)18-4/h8H,5-7H2,1-4H3,(H,13,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid?
(2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid is sourced from PubChem (CID 15598212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).