methyl-(2-methylphenyl)carbamic acid;pentanoic acid

C14H21NO4 — CID 175069185

IUPACmethyl-(2-methylphenyl)carbamic acid;pentanoic acid
SMILESCCCCC(=O)O.Cc1ccccc1N(C)C(=O)O
InChIInChI=1S/C9H11NO2.C5H10O2/c1-7-5-3-4-6-8(7)10(2)9(11)12;1-2-3-4-5(6)7/h3-6H,1-2H3,(H,11,12);2-4H2,1H3,(H,6,7)
InChIKeyIVHGMEZWMKEFLH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About methyl-(2-methylphenyl)carbamic acid;pentanoic acid

methyl-(2-methylphenyl)carbamic acid;pentanoic acid (PubChem CID 175069185) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl-(2-methylphenyl)carbamic acid;pentanoic acid.

Molecular Properties

Compound Namemethyl-(2-methylphenyl)carbamic acid;pentanoic acid
PubChem CID175069185
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Namemethyl-(2-methylphenyl)carbamic acid;pentanoic acid
SMILESCCCCC(=O)O.Cc1ccccc1N(C)C(=O)O
InChIInChI=1S/C9H11NO2.C5H10O2/c1-7-5-3-4-6-8(7)10(2)9(11)12;1-2-3-4-5(6)7/h3-6H,1-2H3,(H,11,12);2-4H2,1H3,(H,6,7)
InChIKeyIVHGMEZWMKEFLH-UHFFFAOYSA-N
XLogP3.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hexanoic acid;methyl-(2-methylphenyl)carbamic acid
CID 174982557
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
7-(N,2-dimethylanilino)-7-oxoheptanoic acid
CID 59823939
(2-butylphenyl)-methylcarbamic acid
CID 57194702
cobalt;octanoic acid;1,2-xylene
CID 175075701
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
3-(N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 28764157
5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 59823931
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylphenyl)carbamic acid;pentanoic acid?
The IUPAC name of methyl-(2-methylphenyl)carbamic acid;pentanoic acid (CID 175069185) is methyl-(2-methylphenyl)carbamic acid;pentanoic acid.
What is the SMILES notation for methyl-(2-methylphenyl)carbamic acid;pentanoic acid?
The canonical SMILES for methyl-(2-methylphenyl)carbamic acid;pentanoic acid is CCCCC(=O)O.Cc1ccccc1N(C)C(=O)O.
What is the InChIKey of methyl-(2-methylphenyl)carbamic acid;pentanoic acid?
The InChIKey is IVHGMEZWMKEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H10O2/c1-7-5-3-4-6-8(7)10(2)9(11)12;1-2-3-4-5(6)7/h3-6H,1-2H3,(H,11,12);2-4H2,1H3,(H,6,7).
What are the key properties of methyl-(2-methylphenyl)carbamic acid;pentanoic acid?
methyl-(2-methylphenyl)carbamic acid;pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylphenyl)carbamic acid;pentanoic acid is sourced from PubChem (CID 175069185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).