2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid

C16H18N2O3 — CID 65222360

IUPAC2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-2-11(15(19)20)10-17-16(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,2,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBDIQJSFZPDUBEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.07
Rot. Bonds5

About 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid

2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid (PubChem CID 65222360) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
PubChem CID65222360
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-2-11(15(19)20)10-17-16(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,2,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyBDIQJSFZPDUBEU-UHFFFAOYSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
2-[[(4-sulfamoylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219240
2-[[(2-iodophenyl)carbamoylamino]methyl]butanoic acid
CID 65219782
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65217917
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
1-methyl-3-naphthalen-2-ylurea
CID 3454681
2-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65226761
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
CID 108894459
2-[[(3-chloro-5-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107368668

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid (CID 65222360) is 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid is CCC(CNC(=O)Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid?
The InChIKey is BDIQJSFZPDUBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-11(15(19)20)10-17-16(21)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,2,10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid?
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65222360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).