methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate

C15H18Cl2N2O4 — CID 59505092

IUPACmethyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C15H18Cl2N2O4/c1-23-14(21)13(6-9-2-3-10(16)7-12(9)17)18-15(22)19-5-4-11(20)8-19/h2-3,7,11,13,20H,4-6,8H2,1H3,(H,18,22)/t11-,13+/m0/s1
InChIKeyRZWCWENBWRKWIM-WCQYABFASA-N
MW361.23 g/mol
LogP1.85
Rot. Bonds4

About methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate

methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate (PubChem CID 59505092) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
PubChem CID59505092
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C15H18Cl2N2O4/c1-23-14(21)13(6-9-2-3-10(16)7-12(9)17)18-15(22)19-5-4-11(20)8-19/h2-3,7,11,13,20H,4-6,8H2,1H3,(H,18,22)/t11-,13+/m0/s1
InChIKeyRZWCWENBWRKWIM-WCQYABFASA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
CID 59504973
methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoate
CID 71035559
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
CID 142918333
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
CID 134591238
tert-butyl N-[(2R)-1-(3-cyclopropylazetidin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate
CID 172836802

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate (CID 59505092) is methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](O)C1.
What is the InChIKey of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate?
The InChIKey is RZWCWENBWRKWIM-WCQYABFASA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-23-14(21)13(6-9-2-3-10(16)7-12(9)17)18-15(22)19-5-4-11(20)8-19/h2-3,7,11,13,20H,4-6,8H2,1H3,(H,18,22)/t11-,13+/m0/s1.
What are the key properties of methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate?
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate has a molecular weight of 361.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2,4-dichlorophenyl)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 59505092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).