2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid

C23H24N2O3 — CID 156907183

IUPAC2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid
SMILESCc1ccc(CNCC(=O)O)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-15-10-11-17(13-24-14-22(26)27)12-21(15)23(28)25-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-12,16,24H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyOMDUVXGWRHCTJQ-MRXNPFEDSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds7

About 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid

2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid (PubChem CID 156907183) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid
PubChem CID156907183
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid
SMILESCc1ccc(CNCC(=O)O)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-15-10-11-17(13-24-14-22(26)27)12-21(15)23(28)25-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-12,16,24H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyOMDUVXGWRHCTJQ-MRXNPFEDSA-N
XLogP3.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid (CID 156907183) is 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid is Cc1ccc(CNCC(=O)O)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid?
The InChIKey is OMDUVXGWRHCTJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-10-11-17(13-24-14-22(26)27)12-21(15)23(28)25-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-12,16,24H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1.
What are the key properties of 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid?
2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid has a molecular weight of 376.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methylamino]acetic acid is sourced from PubChem (CID 156907183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).