[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate

C15H27NO4 — CID 95177987

IUPAC[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate
SMILESCC(C)C[C@H](C)OC(=O)[C@H](C)NC(=O)C1CCOCC1
InChIInChI=1S/C15H27NO4/c1-10(2)9-11(3)20-15(18)12(4)16-14(17)13-5-7-19-8-6-13/h10-13H,5-9H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXZOUBWNGWBJDSQ-RYUDHWBXSA-N
MW285.38 g/mol
LogP1.90
Rot. Bonds6

About [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate

[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate (PubChem CID 95177987) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate
PubChem CID95177987
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate
SMILESCC(C)C[C@H](C)OC(=O)[C@H](C)NC(=O)C1CCOCC1
InChIInChI=1S/C15H27NO4/c1-10(2)9-11(3)20-15(18)12(4)16-14(17)13-5-7-19-8-6-13/h10-13H,5-9H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXZOUBWNGWBJDSQ-RYUDHWBXSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

but-3-enyl (2R)-2-(oxane-4-carbonylamino)propanoate
CID 95177981
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-(4-methylpentan-2-yl)cyclopropanecarboxamide
CID 64592829
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate?
The IUPAC name of [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate (CID 95177987) is [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate.
What is the SMILES notation for [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate?
The canonical SMILES for [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate is CC(C)C[C@H](C)OC(=O)[C@H](C)NC(=O)C1CCOCC1.
What is the InChIKey of [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate?
The InChIKey is XZOUBWNGWBJDSQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)9-11(3)20-15(18)12(4)16-14(17)13-5-7-19-8-6-13/h10-13H,5-9H2,1-4H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate?
[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate has a molecular weight of 285.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate is sourced from PubChem (CID 95177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).