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

C19H31NO6 — CID 66769945

IUPACbenzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol
SMILESCC(C)(C)OC(=O)NC(CCCO)C(=O)OCc1ccccc1.CCO
InChIInChI=1S/C17H25NO5.C2H6O/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13;1-2-3/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21);3H,2H2,1H3
InChIKeyVJYHGGXMWUNIMY-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.39
Rot. Bonds7

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

benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol (PubChem CID 66769945) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol.

Molecular Properties

Compound Namebenzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol
PubChem CID66769945
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Namebenzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol
SMILESCC(C)(C)OC(=O)NC(CCCO)C(=O)OCc1ccccc1.CCO
InChIInChI=1S/C17H25NO5.C2H6O/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13;1-2-3/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21);3H,2H2,1H3
InChIKeyVJYHGGXMWUNIMY-UHFFFAOYSA-N
XLogP2.39
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

dibenzyl (2R,7R)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate
CID 10886402
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168
dibenzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate
CID 91157508
benzyl (2S)-5-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 23258206
benzyl 4-(2-hydroxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66969763
1-O-benzyl 5-O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 51349741
dimethyl (2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate
CID 10742285
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
CID 11645794
benzyl 2-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 175137065
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;carbon dioxide
CID 157460571
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
benzyl (2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoate
CID 99658315

Frequently Asked Questions

What is the IUPAC name of benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol?
The IUPAC name of benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol (CID 66769945) is benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol.
What is the SMILES notation for benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol?
The canonical SMILES for benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol is CC(C)(C)OC(=O)NC(CCCO)C(=O)OCc1ccccc1.CCO.
What is the InChIKey of benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol?
The InChIKey is VJYHGGXMWUNIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5.C2H6O/c1-17(2,3)23-16(21)18-14(10-7-11-19)15(20)22-12-13-8-5-4-6-9-13;1-2-3/h4-6,8-9,14,19H,7,10-12H2,1-3H3,(H,18,21);3H,2H2,1H3.
What are the key properties of benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol?
benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol has a molecular weight of 369.46 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;ethanol is sourced from PubChem (CID 66769945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).