1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid

C18H24N2O4 — CID 120533814

IUPAC1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2,3)14-6-4-12(5-7-14)16(22)19-10-15(21)20-9-8-13(11-20)17(23)24/h4-7,13H,8-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyGPUZWECXLDMWEJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.65
Rot. Bonds4

About 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 120533814) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID120533814
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2,3)14-6-4-12(5-7-14)16(22)19-10-15(21)20-9-8-13(11-20)17(23)24/h4-7,13H,8-11H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyGPUZWECXLDMWEJ-UHFFFAOYSA-N
XLogP1.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
(3S,6R)-1-(2-benzamidoacetyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 170506955
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
acetic acid;(3S,6R)-1-(2-benzamidoacetyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 171709955
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid (CID 120533814) is 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GPUZWECXLDMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,3)14-6-4-12(5-7-14)16(22)19-10-15(21)20-9-8-13(11-20)17(23)24/h4-7,13H,8-11H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120533814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).