1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid

C19H27FN2O4 — CID 120529560

IUPAC1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C19H27FN2O4/c20-19(17(25)26)1-2-22(11-19)16(24)10-21-15(23)9-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,1-11H2,(H,21,23)(H,25,26)
InChIKeyHSLGHNTZONXTHD-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 120529560) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID120529560
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C19H27FN2O4/c20-19(17(25)26)1-2-22(11-19)16(24)10-21-15(23)9-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,1-11H2,(H,21,23)(H,25,26)
InChIKeyHSLGHNTZONXTHD-UHFFFAOYSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(butanoylamino)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259173
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207
2-(1-adamantyl)-N-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55976680
2-(1-adamantyl)-N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 119485530
2-(1-adamantyl)-N-[2-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 55949962
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]acetamide
CID 9226367
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
1-adamantylmethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate
CID 129155466
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
CID 27800102

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 120529560) is 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is HSLGHNTZONXTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c20-19(17(25)26)1-2-22(11-19)16(24)10-21-15(23)9-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,1-11H2,(H,21,23)(H,25,26).
What are the key properties of 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 366.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).