9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid

C18H35NO5 — CID 170880719

IUPAC9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
SMILESCOC(C)(C)CCCC(C)CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C18H35NO5/c1-13(9-8-12-18(5,6)23-7)10-11-14(15(20)21)19-16(22)24-17(2,3)4/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyPLWRKUJKAFWLFW-UHFFFAOYSA-N
MW345.48 g/mol
LogP3.98
Rot. Bonds10

About 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid

9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid (PubChem CID 170880719) has the molecular formula C18H35NO5 and a molecular weight of 345.48 g/mol. Its IUPAC name is 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid.

Molecular Properties

Compound Name9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
PubChem CID170880719
Molecular FormulaC18H35NO5
Molecular Weight345.48 g/mol
Exact Mass345.25
IUPAC Name9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
SMILESCOC(C)(C)CCCC(C)CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C18H35NO5/c1-13(9-8-12-18(5,6)23-7)10-11-14(15(20)21)19-16(22)24-17(2,3)4/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21)
InChIKeyPLWRKUJKAFWLFW-UHFFFAOYSA-N
XLogP3.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-methyl-6-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 157241573
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
CID 91562993
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
6-bromo-5,5-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175201777
(5S)-2-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioic acid
CID 89439150
(2S)-6-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87274670
[4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-trimethylazanium
CID 87539933
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(propan-2-ylamino)hexanoic acid
CID 14840637
5-(2-methoxyethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 103409961
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The IUPAC name of 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid (CID 170880719) is 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid.
What is the SMILES notation for 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The canonical SMILES for 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid is COC(C)(C)CCCC(C)CCC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
The InChIKey is PLWRKUJKAFWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5/c1-13(9-8-12-18(5,6)23-7)10-11-14(15(20)21)19-16(22)24-17(2,3)4/h13-14H,8-12H2,1-7H3,(H,19,22)(H,20,21).
What are the key properties of 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid?
9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid has a molecular weight of 345.48 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5,9-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid is sourced from PubChem (CID 170880719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).