6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid

C16H16N2O3 — CID 168661200

IUPAC6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
SMILESNCC1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C16H16N2O3/c17-8-10-5-15(19)18(9-10)14-4-3-11-6-13(16(20)21)2-1-12(11)7-14/h1-4,6-7,10H,5,8-9,17H2,(H,20,21)
InChIKeyHVZLWHPJPUDNIN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.85
Rot. Bonds3

About 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid (PubChem CID 168661200) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
PubChem CID168661200
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
SMILESNCC1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C16H16N2O3/c17-8-10-5-15(19)18(9-10)14-4-3-11-6-13(16(20)21)2-1-12(11)7-14/h1-4,6-7,10H,5,8-9,17H2,(H,20,21)
InChIKeyHVZLWHPJPUDNIN-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-bromobenzoic acid
CID 168660591
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
4-[[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
CID 10045310
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-1-ylbenzonitrile
CID 168660647
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid (CID 168661200) is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid is NCC1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1.
What is the InChIKey of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid?
The InChIKey is HVZLWHPJPUDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-8-10-5-15(19)18(9-10)14-4-3-11-6-13(16(20)21)2-1-12(11)7-14/h1-4,6-7,10H,5,8-9,17H2,(H,20,21).
What are the key properties of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid?
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 168661200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).