benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate

C16H25NO4 — CID 70035125

IUPACbenzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
SMILESCC(C)(C)OC[C@@H](O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-12-14(18)9-10-17-15(19)20-11-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyZDUIGRVCMRHAQE-AWEZNQCLSA-N
MW295.38 g/mol
LogP2.48
Rot. Bonds7

About benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate

benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate (PubChem CID 70035125) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
PubChem CID70035125
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namebenzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
SMILESCC(C)(C)OC[C@@H](O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-12-14(18)9-10-17-15(19)20-11-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyZDUIGRVCMRHAQE-AWEZNQCLSA-N
XLogP2.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
CID 153495639
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid
CID 7019688
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-[(2R)-1-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 59008227
tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 10915135
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
CID 68749958

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate?
The IUPAC name of benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate (CID 70035125) is benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate?
The canonical SMILES for benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate is CC(C)(C)OC[C@@H](O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate?
The InChIKey is ZDUIGRVCMRHAQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)21-12-14(18)9-10-17-15(19)20-11-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate?
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate is sourced from PubChem (CID 70035125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).