[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C15H28N2O6 — CID 11473031

IUPAC[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCN(CC)C(=O)C(O)COC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O6/c1-7-17(8-2)12(19)11(18)9-22-13(20)10(3)16-14(21)23-15(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,16,21)/t10-,11?/m0/s1
InChIKeyGOXLNXPGURJEMP-VUWPPUDQSA-N
MW332.40 g/mol
LogP0.67
Rot. Bonds7

About [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11473031) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11473031
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCN(CC)C(=O)C(O)COC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O6/c1-7-17(8-2)12(19)11(18)9-22-13(20)10(3)16-14(21)23-15(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,16,21)/t10-,11?/m0/s1
InChIKeyGOXLNXPGURJEMP-VUWPPUDQSA-N
XLogP0.67
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
tert-butyl N-[(2R)-1-[ethyl(hydroxy)amino]-1-oxopropan-2-yl]carbamate
CID 89421028
2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
CID 14629047
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864
tert-butyl N-[(2S)-1-[[(2S)-butan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate
CID 95174235
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
(3,3,3-trifluoro-2,2-dimethylpropyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175315218

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11473031) is [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCN(CC)C(=O)C(O)COC(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is GOXLNXPGURJEMP-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-7-17(8-2)12(19)11(18)9-22-13(20)10(3)16-14(21)23-15(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,16,21)/t10-,11?/m0/s1.
What are the key properties of [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
[3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 332.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)-2-hydroxy-3-oxopropyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11473031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).