methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate

C17H18Cl2N2O2 — CID 129153597

IUPACmethyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
SMILESCOC(=O)CC[C@H](c1cccc(Cl)c1)[C@H](N)c1ccc(Cl)cn1
InChIInChI=1S/C17H18Cl2N2O2/c1-23-16(22)8-6-14(11-3-2-4-12(18)9-11)17(20)15-7-5-13(19)10-21-15/h2-5,7,9-10,14,17H,6,8,20H2,1H3/t14-,17+/m1/s1
InChIKeyQNJYWUNTBYJEKY-PBHICJAKSA-N
MW353.25 g/mol
LogP4.13
Rot. Bonds6

About methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate

methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate (PubChem CID 129153597) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate.

Molecular Properties

Compound Namemethyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
PubChem CID129153597
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Namemethyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate
SMILESCOC(=O)CC[C@H](c1cccc(Cl)c1)[C@H](N)c1ccc(Cl)cn1
InChIInChI=1S/C17H18Cl2N2O2/c1-23-16(22)8-6-14(11-3-2-4-12(18)9-11)17(20)15-7-5-13(19)10-21-15/h2-5,7,9-10,14,17H,6,8,20H2,1H3/t14-,17+/m1/s1
InChIKeyQNJYWUNTBYJEKY-PBHICJAKSA-N
XLogP4.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate with MolForge

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Related Compounds

(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butan-1-amine
CID 69145699
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251601
methyl 5-(5-chloro-2-pyridinyl)-4-(3-iodophenyl)-5-oxopentanoate
CID 163468926
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
methyl 3-[2-amino-1-(3-chlorophenyl)butyl]sulfanylpropanoate
CID 55019811
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171246111

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate?
The IUPAC name of methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate (CID 129153597) is methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate.
What is the SMILES notation for methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate?
The canonical SMILES for methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate is COC(=O)CC[C@H](c1cccc(Cl)c1)[C@H](N)c1ccc(Cl)cn1.
What is the InChIKey of methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate?
The InChIKey is QNJYWUNTBYJEKY-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-23-16(22)8-6-14(11-3-2-4-12(18)9-11)17(20)15-7-5-13(19)10-21-15/h2-5,7,9-10,14,17H,6,8,20H2,1H3/t14-,17+/m1/s1.
What are the key properties of methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate?
methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate has a molecular weight of 353.25 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-5-amino-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)pentanoate is sourced from PubChem (CID 129153597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).