prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate

C15H21NO4 — CID 54266067

IUPACprop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](CO)CCOCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-9-20-15(18)16-14(11-17)8-10-19-12-13-6-4-3-5-7-13/h2-7,14,17H,1,8-12H2,(H,16,18)/t14-/m1/s1
InChIKeyRGWDKWJZAPDRNA-CQSZACIVSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds9

About prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate

prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate (PubChem CID 54266067) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
PubChem CID54266067
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameprop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](CO)CCOCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-9-20-15(18)16-14(11-17)8-10-19-12-13-6-4-3-5-7-13/h2-7,14,17H,1,8-12H2,(H,16,18)/t14-/m1/s1
InChIKeyRGWDKWJZAPDRNA-CQSZACIVSA-N
XLogP1.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
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benzyl N-(1-phenylhex-5-en-3-yl)carbamate
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(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
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3-(2-phenylmethoxyethyl)hept-6-en-2-one
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benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
prop-2-enyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 11139956
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
CID 11109408
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
(2S)-2-(phenylmethoxycarbonylamino)hex-5-enoic acid
CID 11311574
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate (CID 54266067) is prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate is C=CCOC(=O)N[C@@H](CO)CCOCc1ccccc1.
What is the InChIKey of prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate?
The InChIKey is RGWDKWJZAPDRNA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-9-20-15(18)16-14(11-17)8-10-19-12-13-6-4-3-5-7-13/h2-7,14,17H,1,8-12H2,(H,16,18)/t14-/m1/s1.
What are the key properties of prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate?
prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R)-1-hydroxy-4-phenylmethoxybutan-2-yl]carbamate is sourced from PubChem (CID 54266067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).