methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate

C16H24N2O4 — CID 7640872

IUPACmethyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)8-14(15(19)22-4)18-16(20)17-10-12-6-5-7-13(9-12)21-3/h5-7,9,11,14H,8,10H2,1-4H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyMIOZSTBGAJHFJJ-CQSZACIVSA-N
MW308.38 g/mol
LogP2.08
Rot. Bonds7

About methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate

methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate (PubChem CID 7640872) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
PubChem CID7640872
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)8-14(15(19)22-4)18-16(20)17-10-12-6-5-7-13(9-12)21-3/h5-7,9,11,14H,8,10H2,1-4H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyMIOZSTBGAJHFJJ-CQSZACIVSA-N
XLogP2.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]propanoate
CID 7529441
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylpentanoate
CID 4313708
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
(2S,3R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
CID 2000260
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 174902616
(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
CID 51957419
methyl (2S)-4-methyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]pentanoate
CID 2005630
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate (CID 7640872) is methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)NCc1cccc(OC)c1.
What is the InChIKey of methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?
The InChIKey is MIOZSTBGAJHFJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)8-14(15(19)22-4)18-16(20)17-10-12-6-5-7-13(9-12)21-3/h5-7,9,11,14H,8,10H2,1-4H3,(H2,17,18,20)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?
methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate has a molecular weight of 308.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate is sourced from PubChem (CID 7640872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).