2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid

C16H24N2O3 — CID 63065968

IUPAC2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1CN(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)9-18(11-15(19)20)16(21)17(4)10-14-8-6-5-7-13(14)3/h5-8,12H,9-11H2,1-4H3,(H,19,20)
InChIKeyJSNBABHGKLTAPL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds6

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

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065968) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065968
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1CN(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H24N2O3/c1-12(2)9-18(11-15(19)20)16(21)17(4)10-14-8-6-5-7-13(14)3/h5-8,12H,9-11H2,1-4H3,(H,19,20)
InChIKeyJSNBABHGKLTAPL-UHFFFAOYSA-N
XLogP2.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propan-2-ylamino]propanoic acid
CID 61411468
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-[(2-chloroacetyl)-[(2-methylphenyl)methyl]amino]acetic acid
CID 166431920
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63065968) is 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid is Cc1ccccc1CN(C)C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is JSNBABHGKLTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)9-18(11-15(19)20)16(21)17(4)10-14-8-6-5-7-13(14)3/h5-8,12H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.59, 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]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).