benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate

C20H25NO4 — CID 59963897

IUPACbenzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(C[C@H](O)CO)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-15(21-20(24)25-14-18-5-3-2-4-6-18)11-16-7-9-17(10-8-16)12-19(23)13-22/h2-10,15,19,22-23H,11-14H2,1H3,(H,21,24)/t15-,19+/m1/s1
InChIKeySSFZXGPVSYICAR-BEFAXECRSA-N
MW343.42 g/mol
LogP2.44
Rot. Bonds8

About benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate

benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate (PubChem CID 59963897) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
PubChem CID59963897
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namebenzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(C[C@H](O)CO)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-15(21-20(24)25-14-18-5-3-2-4-6-18)11-16-7-9-17(10-8-16)12-19(23)13-22/h2-10,15,19,22-23H,11-14H2,1H3,(H,21,24)/t15-,19+/m1/s1
InChIKeySSFZXGPVSYICAR-BEFAXECRSA-N
XLogP2.44
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
methyl 3-[4-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 67401665
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
(2R)-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 45049858
benzyl N-[1-[[1-(1-hydroxypropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 18711713

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate (CID 59963897) is benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate is C[C@H](Cc1ccc(C[C@H](O)CO)cc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate?
The InChIKey is SSFZXGPVSYICAR-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(21-20(24)25-14-18-5-3-2-4-6-18)11-16-7-9-17(10-8-16)12-19(23)13-22/h2-10,15,19,22-23H,11-14H2,1H3,(H,21,24)/t15-,19+/m1/s1.
What are the key properties of benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate?
benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 59963897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).