2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid

C16H17NO3 — CID 80538465

IUPAC2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(CCNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11(16(19)20)8-9-17-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyJWNPFGRDPMSMCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid

2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid (PubChem CID 80538465) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
PubChem CID80538465
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(CCNC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11(16(19)20)8-9-17-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyJWNPFGRDPMSMCX-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid (CID 80538465) is 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid is CC(CCNC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid?
The InChIKey is JWNPFGRDPMSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(16(19)20)8-9-17-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid?
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 80538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).