(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

C19H21NO4 — CID 119365455

IUPAC(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc2cc(C(C)C(=O)N3CCC[C@H]3C(=O)O)ccc2c1
InChIInChI=1S/C19H21NO4/c1-12(18(21)20-9-3-4-17(20)19(22)23)13-5-6-15-11-16(24-2)8-7-14(15)10-13/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,22,23)/t12?,17-/m0/s1
InChIKeyVCGDMBCHUGSFIA-TYJDENFWSA-N
MW327.38 g/mol
LogP3.03
Rot. Bonds4

About (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365455) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119365455
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc2cc(C(C)C(=O)N3CCC[C@H]3C(=O)O)ccc2c1
InChIInChI=1S/C19H21NO4/c1-12(18(21)20-9-3-4-17(20)19(22)23)13-5-6-15-11-16(24-2)8-7-14(15)10-13/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,22,23)/t12?,17-/m0/s1
InChIKeyVCGDMBCHUGSFIA-TYJDENFWSA-N
XLogP3.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366290
(2R)-1-[(2R)-2-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 124591782
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 21431522
1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
CID 120684614
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 120571671
1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43092846
3-[2-(6-methoxynaphthalen-2-yl)propanoyloxy]propyl 1-[[2-[3-[2-(6-methoxynaphthalen-2-yl)propanoyloxy]propoxycarbonyl]pyrrolidine-1-carbothioyl]disulfanyl]carbothioylpyrrolidine-2-carboxylate
CID 10123836
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 119365455) is (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is COc1ccc2cc(C(C)C(=O)N3CCC[C@H]3C(=O)O)ccc2c1.
What is the InChIKey of (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VCGDMBCHUGSFIA-TYJDENFWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(18(21)20-9-3-4-17(20)19(22)23)13-5-6-15-11-16(24-2)8-7-14(15)10-13/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,22,23)/t12?,17-/m0/s1.
What are the key properties of (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).