(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C19H20N2O4 — CID 119371080

IUPAC(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H20N2O4/c22-17(11-14-7-3-6-13-5-1-2-8-15(13)14)20-12-18(23)21-10-4-9-16(21)19(24)25/h1-3,5-8,16H,4,9-12H2,(H,20,22)(H,24,25)/t16-/m1/s1
InChIKeyGESUNSNXEQQIME-MRXNPFEDSA-N
MW340.38 g/mol
LogP1.57
Rot. Bonds5

About (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371080) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371080
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H20N2O4/c22-17(11-14-7-3-6-13-5-1-2-8-15(13)14)20-12-18(23)21-10-4-9-16(21)19(24)25/h1-3,5-8,16H,4,9-12H2,(H,20,22)(H,24,25)/t16-/m1/s1
InChIKeyGESUNSNXEQQIME-MRXNPFEDSA-N
XLogP1.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
N-[2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 95172722
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 9070858
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 119371080) is (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GESUNSNXEQQIME-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(11-14-7-3-6-13-5-1-2-8-15(13)14)20-12-18(23)21-10-4-9-16(21)19(24)25/h1-3,5-8,16H,4,9-12H2,(H,20,22)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).