benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride

C18H23ClN2O3 — CID 69358558

IUPACbenzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O3.ClH/c19-16(11-14-7-3-1-4-8-14)17(21)12-20-18(22)23-13-15-9-5-2-6-10-15;/h1-10,16-17,21H,11-13,19H2,(H,20,22);1H/t16-,17+;/m0./s1
InChIKeyOOCFNZSHIKGQTE-MCJVGQIASA-N
MW350.85 g/mol
LogP2.27
Rot. Bonds7

About benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride

benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride (PubChem CID 69358558) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
PubChem CID69358558
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Namebenzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O3.ClH/c19-16(11-14-7-3-1-4-8-14)17(21)12-20-18(22)23-13-15-9-5-2-6-10-15;/h1-10,16-17,21H,11-13,19H2,(H,20,22);1H/t16-,17+;/m0./s1
InChIKeyOOCFNZSHIKGQTE-MCJVGQIASA-N
XLogP2.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[2-[[(3S)-4-amino-3-[[(2S)-2-[[(3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]ethyl]carbamate
CID 10651490
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate
CID 101184256
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-[(2S)-2-aminopropyl]carbamate;2,2,2-trifluoroacetic acid
CID 172757752

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride (CID 69358558) is benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride is Cl.N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride?
The InChIKey is OOCFNZSHIKGQTE-MCJVGQIASA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c19-16(11-14-7-3-1-4-8-14)17(21)12-20-18(22)23-13-15-9-5-2-6-10-15;/h1-10,16-17,21H,11-13,19H2,(H,20,22);1H/t16-,17+;/m0./s1.
What are the key properties of benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride?
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride is sourced from PubChem (CID 69358558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).