methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate

C15H21NO3 — CID 99834984

IUPACmethyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
SMILESCOC(=O)[C@H](NC1CC(c2ccccc2)C1)[C@H](C)O
InChIInChI=1S/C15H21NO3/c1-10(17)14(15(18)19-2)16-13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12-14,16-17H,8-9H2,1-2H3/t10-,12?,13?,14+/m0/s1
InChIKeyWQJPFTCFDVCQMK-KWCMIHLGSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds5

About methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate

methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate (PubChem CID 99834984) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
PubChem CID99834984
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
SMILESCOC(=O)[C@H](NC1CC(c2ccccc2)C1)[C@H](C)O
InChIInChI=1S/C15H21NO3/c1-10(17)14(15(18)19-2)16-13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12-14,16-17H,8-9H2,1-2H3/t10-,12?,13?,14+/m0/s1
InChIKeyWQJPFTCFDVCQMK-KWCMIHLGSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859
methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
CID 43732449
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
CID 120989012
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
methyl (2S)-3-methyl-2-[(2-phenylcyclohexyl)amino]butanoate
CID 43776131
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate (CID 99834984) is methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate is COC(=O)[C@H](NC1CC(c2ccccc2)C1)[C@H](C)O.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate?
The InChIKey is WQJPFTCFDVCQMK-KWCMIHLGSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(17)14(15(18)19-2)16-13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12-14,16-17H,8-9H2,1-2H3/t10-,12?,13?,14+/m0/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate?
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate has a molecular weight of 263.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate is sourced from PubChem (CID 99834984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).