1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid

C20H26N2O5 — CID 120687704

IUPAC1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOC1(CC(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)CCC1
InChIInChI=1S/C20H26N2O5/c1-27-20(9-5-10-20)13-17(23)21-15-7-4-6-14(12-15)18(24)22-11-3-2-8-16(22)19(25)26/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,21,23)(H,25,26)
InChIKeyUKBAXKFCULDTQJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.66
Rot. Bonds6

About 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid

1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 120687704) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID120687704
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOC1(CC(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)CCC1
InChIInChI=1S/C20H26N2O5/c1-27-20(9-5-10-20)13-17(23)21-15-7-4-6-14(12-15)18(24)22-11-3-2-8-16(22)19(25)26/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,21,23)(H,25,26)
InChIKeyUKBAXKFCULDTQJ-UHFFFAOYSA-N
XLogP2.66
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 120526867
1-[3-[[2-(butanoylamino)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243584
1-[3-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243534
1-[3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243426
1-[3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243418
1-[3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243578
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
CID 95623292

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid (CID 120687704) is 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid is COC1(CC(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)CCC1.
What is the InChIKey of 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is UKBAXKFCULDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-27-20(9-5-10-20)13-17(23)21-15-7-4-6-14(12-15)18(24)22-11-3-2-8-16(22)19(25)26/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120687704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).