benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate

C20H23NO5 — CID 46201346

IUPACbenzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(2)26-17-10-8-16(9-11-17)19(23)21-18(12-22)20(24)25-13-15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyYYGFUGSPMBKKNT-SFHVURJKSA-N
MW357.41 g/mol
LogP2.31
Rot. Bonds8

About benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate

benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate (PubChem CID 46201346) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
PubChem CID46201346
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namebenzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(2)26-17-10-8-16(9-11-17)19(23)21-18(12-22)20(24)25-13-15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyYYGFUGSPMBKKNT-SFHVURJKSA-N
XLogP2.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
benzyl 4-propan-2-yloxybenzoate
CID 70079883
benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
CID 132580689
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
CID 143560110
benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
CID 101068165
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
butan-2-yl (2S)-2-benzamido-3-hydroxypropanoate
CID 101068168

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate?
The IUPAC name of benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate (CID 46201346) is benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate.
What is the SMILES notation for benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate?
The canonical SMILES for benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate is CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate?
The InChIKey is YYGFUGSPMBKKNT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(2)26-17-10-8-16(9-11-17)19(23)21-18(12-22)20(24)25-13-15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate?
benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate has a molecular weight of 357.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate is sourced from PubChem (CID 46201346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).