ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C15H29NO5 — CID 10380258

IUPACethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H29NO5/c1-7-9-12(13(18)20-8-2)16(11(3)10-17)14(19)21-15(4,5)6/h11-12,17H,7-10H2,1-6H3/t11-,12-/m0/s1
InChIKeyQFJJPJZBIRNNTJ-RYUDHWBXSA-N
MW303.40 g/mol
LogP2.34
Rot. Bonds7

About ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 10380258) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID10380258
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nameethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCCC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C15H29NO5/c1-7-9-12(13(18)20-8-2)16(11(3)10-17)14(19)21-15(4,5)6/h11-12,17H,7-10H2,1-6H3/t11-,12-/m0/s1
InChIKeyQFJJPJZBIRNNTJ-RYUDHWBXSA-N
XLogP2.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 10380258) is ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is CCC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)[C@@H](C)CO.
What is the InChIKey of ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is QFJJPJZBIRNNTJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H29NO5/c1-7-9-12(13(18)20-8-2)16(11(3)10-17)14(19)21-15(4,5)6/h11-12,17H,7-10H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 303.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 10380258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).