2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid

C15H22N2O4 — CID 122002162

IUPAC2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
SMILESCC(CNC(=O)N(C)CC(C)C(=O)O)Oc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(14(18)19)10-17(3)15(20)16-9-12(2)21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMQNSMNUQUIDOBN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.82
Rot. Bonds7

About 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid

2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid (PubChem CID 122002162) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
PubChem CID122002162
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
SMILESCC(CNC(=O)N(C)CC(C)C(=O)O)Oc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(14(18)19)10-17(3)15(20)16-9-12(2)21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMQNSMNUQUIDOBN-UHFFFAOYSA-N
XLogP1.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-(4-methylphenoxy)propylcarbamoyl]amino]propanoic acid
CID 122004108
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
3-[(4-butan-2-yloxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077718
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
CID 62692283
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010216
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462
3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
3-[[4-(3-methoxypropoxy)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013930
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid (CID 122002162) is 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid is CC(CNC(=O)N(C)CC(C)C(=O)O)Oc1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid?
The InChIKey is MQNSMNUQUIDOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(14(18)19)10-17(3)15(20)16-9-12(2)21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid?
2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 122002162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).