(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid

C13H24N2O6 — CID 122221243

IUPAC(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid
SMILESCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](N)CCCC(=O)O
InChIInChI=1S/C13H24N2O6/c1-13(2,3)21-12(19)15-10(11(18)20-4)8(14)6-5-7-9(16)17/h8,10H,5-7,14H2,1-4H3,(H,15,19)(H,16,17)/t8-,10-/m1/s1
InChIKeyPAKQXZXIUIHWII-PSASIEDQSA-N
MW304.34 g/mol
LogP0.63
Rot. Bonds7

About (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid

(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid (PubChem CID 122221243) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid.

Molecular Properties

Compound Name(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid
PubChem CID122221243
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid
SMILESCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](N)CCCC(=O)O
InChIInChI=1S/C13H24N2O6/c1-13(2,3)21-12(19)15-10(11(18)20-4)8(14)6-5-7-9(16)17/h8,10H,5-7,14H2,1-4H3,(H,15,19)(H,16,17)/t8-,10-/m1/s1
InChIKeyPAKQXZXIUIHWII-PSASIEDQSA-N
XLogP0.63
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid with MolForge

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Related Compounds

5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174389301
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
(5R,7S)-8-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 122216767
7-[(2-methylpropan-2-yl)oxy]-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoheptanoic acid
CID 175493030
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
(2S)-3,3-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154966120
methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 75152414
[(2S)-1-amino-4-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-oxosulfanium
CID 175364976

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid?
The IUPAC name of (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid (CID 122221243) is (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid.
What is the SMILES notation for (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid?
The canonical SMILES for (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid is COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](N)CCCC(=O)O.
What is the InChIKey of (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid?
The InChIKey is PAKQXZXIUIHWII-PSASIEDQSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-13(2,3)21-12(19)15-10(11(18)20-4)8(14)6-5-7-9(16)17/h8,10H,5-7,14H2,1-4H3,(H,15,19)(H,16,17)/t8-,10-/m1/s1.
What are the key properties of (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid?
(5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid has a molecular weight of 304.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-amino-7-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoic acid is sourced from PubChem (CID 122221243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).