methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate

C16H24N2O5 — CID 51426599

IUPACmethyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)8-13(15(19)23-5)18-16(20)17-12-9-11(21-3)6-7-14(12)22-4/h6-7,9-10,13H,8H2,1-5H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyLHGPSLVERWLHGV-CYBMUJFWSA-N
MW324.38 g/mol
LogP2.41
Rot. Bonds7

About methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate

methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate (PubChem CID 51426599) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
PubChem CID51426599
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C16H24N2O5/c1-10(2)8-13(15(19)23-5)18-16(20)17-12-9-11(21-3)6-7-14(12)22-4/h6-7,9-10,13H,8H2,1-5H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyLHGPSLVERWLHGV-CYBMUJFWSA-N
XLogP2.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
CID 3806589
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
CID 14178708
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40635753
methyl (2S)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 2019412

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate (CID 51426599) is methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate?
The InChIKey is LHGPSLVERWLHGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)8-13(15(19)23-5)18-16(20)17-12-9-11(21-3)6-7-14(12)22-4/h6-7,9-10,13H,8H2,1-5H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate?
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate has a molecular weight of 324.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate is sourced from PubChem (CID 51426599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).