2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid

C15H22N2O3 — CID 61412234

IUPAC2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-9-17(11-14(18)19)15(20)16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyYFAOWWWLRWVGOF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.34
Rot. Bonds6

About 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid (PubChem CID 61412234) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
PubChem CID61412234
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-9-17(11-14(18)19)15(20)16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyYFAOWWWLRWVGOF-UHFFFAOYSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065968
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-[[methyl(thiophen-3-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61197925
3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 61411468
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78787410

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid (CID 61412234) is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid?
The InChIKey is YFAOWWWLRWVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-9-17(11-14(18)19)15(20)16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid?
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 61412234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).