(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

C19H23NO4 — CID 135094948

IUPAC(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
SMILESCCOc1ccc2ccccc2c1CN1CC[C@H](C(=O)O)[C@H](O)C1
InChIInChI=1S/C19H23NO4/c1-2-24-18-8-7-13-5-3-4-6-14(13)16(18)11-20-10-9-15(19(22)23)17(21)12-20/h3-8,15,17,21H,2,9-12H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyOADCVQRTOHCAGP-DOTOQJQBSA-N
MW329.40 g/mol
LogP2.51
Rot. Bonds5

About (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid (PubChem CID 135094948) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
PubChem CID135094948
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
SMILESCCOc1ccc2ccccc2c1CN1CC[C@H](C(=O)O)[C@H](O)C1
InChIInChI=1S/C19H23NO4/c1-2-24-18-8-7-13-5-3-4-6-14(13)16(18)11-20-10-9-15(19(22)23)17(21)12-20/h3-8,15,17,21H,2,9-12H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyOADCVQRTOHCAGP-DOTOQJQBSA-N
XLogP2.51
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3-hydroxy-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 135111768
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
(4aS,8aS)-7-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134696282
1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
CID 54848110
(1R,5S)-3-[(2-ethoxynaphthalen-1-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;2,2,2-trifluoroacetic acid
CID 154916268
(3S,4S)-1-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135112847
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
1-benzyl-2-ethoxynaphthalene
CID 12064074
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
CID 54848268
N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190094

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid (CID 135094948) is (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid is CCOc1ccc2ccccc2c1CN1CC[C@H](C(=O)O)[C@H](O)C1.
What is the InChIKey of (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid?
The InChIKey is OADCVQRTOHCAGP-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-24-18-8-7-13-5-3-4-6-14(13)16(18)11-20-10-9-15(19(22)23)17(21)12-20/h3-8,15,17,21H,2,9-12H2,1H3,(H,22,23)/t15-,17+/m0/s1.
What are the key properties of (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid?
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 135094948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).