tert-butyl (2R)-2-(nonanoylamino)propanoate

C16H31NO3 — CID 81004296

IUPACtert-butyl (2R)-2-(nonanoylamino)propanoate
SMILESCCCCCCCCC(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-7-8-9-10-11-12-14(18)17-13(2)15(19)20-16(3,4)5/h13H,6-12H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyWPKPJMTXOVENIN-CYBMUJFWSA-N
MW285.43 g/mol
LogP3.58
Rot. Bonds9

About tert-butyl (2R)-2-(nonanoylamino)propanoate

tert-butyl (2R)-2-(nonanoylamino)propanoate (PubChem CID 81004296) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-(nonanoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(nonanoylamino)propanoate
PubChem CID81004296
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl (2R)-2-(nonanoylamino)propanoate
SMILESCCCCCCCCC(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-7-8-9-10-11-12-14(18)17-13(2)15(19)20-16(3,4)5/h13H,6-12H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyWPKPJMTXOVENIN-CYBMUJFWSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(hexadecanoylamino)-4-methylpentanoate
CID 129080018
tert-butyl (2S)-2-(hept-6-ynoylamino)propanoate
CID 113349823
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
tert-butyl (2S)-2-[[(2S)-2-(6-oxohexanoylamino)propanoyl]amino]propanoate
CID 130342884
2-[[(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]hexanoic acid
CID 141377961
hexyl 2-(pentanoylamino)propanoate
CID 6420522
tert-butyl 3-formamido-2-(octadecanoylamino)propanoate
CID 178135295
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(nonanoylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(nonanoylamino)propanoate (CID 81004296) is tert-butyl (2R)-2-(nonanoylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(nonanoylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(nonanoylamino)propanoate is CCCCCCCCC(=O)N[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(nonanoylamino)propanoate?
The InChIKey is WPKPJMTXOVENIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-7-8-9-10-11-12-14(18)17-13(2)15(19)20-16(3,4)5/h13H,6-12H2,1-5H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(nonanoylamino)propanoate?
tert-butyl (2R)-2-(nonanoylamino)propanoate has a molecular weight of 285.43 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(nonanoylamino)propanoate is sourced from PubChem (CID 81004296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).