propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate

C18H35NO4 — CID 59184882

IUPACpropan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
SMILESCC(C)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C18H35NO4/c1-13(2)11-9-8-10-12-15(16(20)22-14(3)4)19-17(21)23-18(5,6)7/h13-15H,8-12H2,1-7H3,(H,19,21)/t15-/m0/s1
InChIKeySBNQJPAJLSZPFG-HNNXBMFYSA-N
MW329.48 g/mol
LogP4.44
Rot. Bonds9

About propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate

propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate (PubChem CID 59184882) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
PubChem CID59184882
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namepropan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
SMILESCC(C)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C18H35NO4/c1-13(2)11-9-8-10-12-15(16(20)22-14(3)4)19-17(21)23-18(5,6)7/h13-15H,8-12H2,1-7H3,(H,19,21)/t15-/m0/s1
InChIKeySBNQJPAJLSZPFG-HNNXBMFYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141230697
methyl (2S)-7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 145364807
tert-butyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 18185129
tert-butyl (2R)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 86315819
tert-butyl (2S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10924706
tert-butyl (2S)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170738223
ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170262393
tert-butyl (2S)-6-(15N)azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;hydrochloride
CID 159470868
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
[(5S)-6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]azanium chloride
CID 11110551
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
ethyl 12-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 19930840

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate?
The IUPAC name of propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate (CID 59184882) is propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate.
What is the SMILES notation for propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate?
The canonical SMILES for propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate is CC(C)CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate?
The InChIKey is SBNQJPAJLSZPFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-13(2)11-9-8-10-12-15(16(20)22-14(3)4)19-17(21)23-18(5,6)7/h13-15H,8-12H2,1-7H3,(H,19,21)/t15-/m0/s1.
What are the key properties of propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate?
propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate has a molecular weight of 329.48 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-8-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate is sourced from PubChem (CID 59184882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).