2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid

C23H28N2O4 — CID 119245450

IUPAC2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)NC(C(=O)NCC(Cc1ccc2ccccc2c1)C(=O)O)C1CCCC1
InChIInChI=1S/C23H28N2O4/c1-15(26)25-21(18-7-3-4-8-18)22(27)24-14-20(23(28)29)13-16-10-11-17-6-2-5-9-19(17)12-16/h2,5-6,9-12,18,20-21H,3-4,7-8,13-14H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyRWFNUEYESMQOFB-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.89
Rot. Bonds8

About 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid

2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 119245450) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
PubChem CID119245450
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)NC(C(=O)NCC(Cc1ccc2ccccc2c1)C(=O)O)C1CCCC1
InChIInChI=1S/C23H28N2O4/c1-15(26)25-21(18-7-3-4-8-18)22(27)24-14-20(23(28)29)13-16-10-11-17-6-2-5-9-19(17)12-16/h2,5-6,9-12,18,20-21H,3-4,7-8,13-14H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyRWFNUEYESMQOFB-UHFFFAOYSA-N
XLogP2.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756
2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
methyl 4-[2-(2-acetamido-2-cyclopentylacetyl)hydrazinyl]-2-benzyl-4-oxobutanoate
CID 67140444

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid (CID 119245450) is 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid is CC(=O)NC(C(=O)NCC(Cc1ccc2ccccc2c1)C(=O)O)C1CCCC1.
What is the InChIKey of 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is RWFNUEYESMQOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(26)25-21(18-7-3-4-8-18)22(27)24-14-20(23(28)29)13-16-10-11-17-6-2-5-9-19(17)12-16/h2,5-6,9-12,18,20-21H,3-4,7-8,13-14H2,1H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 396.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 119245450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).