(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate

C19H22N2O3 — CID 7157999

IUPAC(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
SMILESO=C(C[C@@H](C(=O)[O-])[NH+]1CCCCC1)Nc1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c22-18(13-17(19(23)24)21-11-4-1-5-12-21)20-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17H,1,4-5,11-13H2,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeyLKPSQDYCMNLWRP-KRWDZBQOSA-N
MW326.40 g/mol
LogP0.36
Rot. Bonds5

About (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate

(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate (PubChem CID 7157999) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate.

Molecular Properties

Compound Name(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
PubChem CID7157999
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
SMILESO=C(C[C@@H](C(=O)[O-])[NH+]1CCCCC1)Nc1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c22-18(13-17(19(23)24)21-11-4-1-5-12-21)20-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17H,1,4-5,11-13H2,(H,20,22)(H,23,24)/t17-/m0/s1
InChIKeyLKPSQDYCMNLWRP-KRWDZBQOSA-N
XLogP0.36
TPSA73.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate with MolForge

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Related Compounds

(2S)-4-(3-chloro-2-methylanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
CID 7591694
(2S)-4-(2-methylanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate
CID 7421948
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(2R)-2-[[(2R)-2-hydroxypropyl]azaniumyl]-4-(naphthalen-1-ylamino)-4-oxobutanoate
CID 7591522
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
CID 851942
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
N-(2-chlorophenyl)-3-piperidin-1-ium-1-ylpropanamide
CID 4742381
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
(2S)-4-(4-fluoroanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate
CID 7422050
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate
CID 7591531

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate?
The IUPAC name of (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate (CID 7157999) is (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate.
What is the SMILES notation for (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate?
The canonical SMILES for (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate is O=C(C[C@@H](C(=O)[O-])[NH+]1CCCCC1)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate?
The InChIKey is LKPSQDYCMNLWRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(13-17(19(23)24)21-11-4-1-5-12-21)20-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17H,1,4-5,11-13H2,(H,20,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate?
(2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate has a molecular weight of 326.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(naphthalen-1-ylamino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate is sourced from PubChem (CID 7157999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).