methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate

C14H20ClNO2 — CID 174512826

IUPACmethyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
SMILESCOC(=O)C(N)CCC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(6-7-13(16)14(17)18-2)8-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3
InChIKeySLOUYWNNEWTTJC-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.80
Rot. Bonds6

About methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate

methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate (PubChem CID 174512826) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
PubChem CID174512826
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
SMILESCOC(=O)C(N)CCC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(6-7-13(16)14(17)18-2)8-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3
InChIKeySLOUYWNNEWTTJC-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
methyl (2S)-2-acetamido-3-(3-chlorophenyl)propanoate
CID 11219042
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
methyl (2S)-3-(3-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 46900288
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]hexanamide
CID 60854385
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate?
The IUPAC name of methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate (CID 174512826) is methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate.
What is the SMILES notation for methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate?
The canonical SMILES for methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate is COC(=O)C(N)CCC(C)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate?
The InChIKey is SLOUYWNNEWTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(6-7-13(16)14(17)18-2)8-11-4-3-5-12(15)9-11/h3-5,9-10,13H,6-8,16H2,1-2H3.
What are the key properties of methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate?
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate has a molecular weight of 269.77 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate is sourced from PubChem (CID 174512826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).