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

C19H24Cl2N2O4 — CID 59504973

IUPACmethyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(O)(CC2CC2)C1
InChIInChI=1S/C19H24Cl2N2O4/c1-27-17(24)16(8-13-4-5-14(20)9-15(13)21)22-18(25)23-7-6-19(26,11-23)10-12-2-3-12/h4-5,9,12,16,26H,2-3,6-8,10-11H2,1H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyZQELMIUCOBXRKS-VTBWFHPJSA-N
MW415.32 g/mol
LogP3.02
Rot. Bonds6

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

methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate (PubChem CID 59504973) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
PubChem CID59504973
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Namemethyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(O)(CC2CC2)C1
InChIInChI=1S/C19H24Cl2N2O4/c1-27-17(24)16(8-13-4-5-14(20)9-15(13)21)22-18(25)23-7-6-19(26,11-23)10-12-2-3-12/h4-5,9,12,16,26H,2-3,6-8,10-11H2,1H3,(H,22,25)/t16-,19?/m1/s1
InChIKeyZQELMIUCOBXRKS-VTBWFHPJSA-N
XLogP3.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Boc-D-2,4-dichlorophenylalanine
CID 132427442
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-fluoroazetidine-1-carbonyl)amino]propanoate
CID 58221964
methyl (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoate
CID 59504982
(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid
CID 59505108
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
CID 2734683
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid
CID 2762017
Boc-2,4-dichloro-DL-phenylalanine
CID 4393347
(R)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
CID 7010031
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2,4-dichlorobenzyl)-pyrrolidine-2-carboxylic acid
CID 53398254
3-[2-[[4-(4-Chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 58153767
(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 58221934
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate
CID 58222068

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate (CID 59504973) is methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC(O)(CC2CC2)C1.
What is the InChIKey of methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate?
The InChIKey is ZQELMIUCOBXRKS-VTBWFHPJSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c1-27-17(24)16(8-13-4-5-14(20)9-15(13)21)22-18(25)23-7-6-19(26,11-23)10-12-2-3-12/h4-5,9,12,16,26H,2-3,6-8,10-11H2,1H3,(H,22,25)/t16-,19?/m1/s1.
What are the key properties of methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate?
methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate has a molecular weight of 415.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[3-(cyclopropylmethyl)-3-hydroxypyrrolidine-1-carbonyl]amino]-3-(2,4-dichlorophenyl)propanoate is sourced from PubChem (CID 59504973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).