3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid

C16H17NO4 — CID 103153230

IUPAC3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2ccccc12)CC(=O)O
InChIInChI=1S/C16H17NO4/c1-21-12(9-15(18)19)10-17-16(20)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyZIDZPZDBPQFMFT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.06
Rot. Bonds6

About 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid

3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid (PubChem CID 103153230) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
PubChem CID103153230
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2ccccc12)CC(=O)O
InChIInChI=1S/C16H17NO4/c1-21-12(9-15(18)19)10-17-16(20)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyZIDZPZDBPQFMFT-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid (CID 103153230) is 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid is COC(CNC(=O)c1cccc2ccccc12)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The InChIKey is ZIDZPZDBPQFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-12(9-15(18)19)10-17-16(20)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid?
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid is sourced from PubChem (CID 103153230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).