benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C17H25NO5 — CID 11056397

IUPACbenzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGUUOABUKZOMRBA-AWEZNQCLSA-N
MW323.39 g/mol
LogP2.40
Rot. Bonds7

About benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 11056397) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namebenzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID11056397
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namebenzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGUUOABUKZOMRBA-AWEZNQCLSA-N
XLogP2.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 11056397) is benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)N[C@@H](CCCO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is GUUOABUKZOMRBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 323.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 11056397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).