1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C18H20N2O3 — CID 15920376

IUPAC1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCCC1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)19-18(23)20-11-5-10-16(20)17(21)22/h2-4,6-9,12,16H,5,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyNMLKQLSNLRXYFF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.16
Rot. Bonds3

About 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 15920376) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID15920376
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCCC1C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)19-18(23)20-11-5-10-16(20)17(21)22/h2-4,6-9,12,16H,5,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyNMLKQLSNLRXYFF-UHFFFAOYSA-N
XLogP3.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922688
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 143615138
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
3-ethoxy-N-(1-naphthalen-1-ylethyl)piperidine-1-carboxamide
CID 47754586
(2R)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922641
(4aS,8aR)-4-(furan-2-carbonyl)-N-(1-naphthalen-1-ylethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 10765144
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid
CID 67409796
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 15920376) is 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(NC(=O)N1CCCC1C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NMLKQLSNLRXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(14-9-4-7-13-6-2-3-8-15(13)14)19-18(23)20-11-5-10-16(20)17(21)22/h2-4,6-9,12,16H,5,10-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).