3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid

C20H26N2O5 — CID 119212255

IUPAC3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(N2CCCCC2=O)cc1)C1CCOCC1
InChIInChI=1S/C20H26N2O5/c23-18-3-1-2-11-21(18)16-6-4-15(5-7-16)20(26)22(12-8-19(24)25)17-9-13-27-14-10-17/h4-7,17H,1-3,8-14H2,(H,24,25)
InChIKeyBQFRYGVZWKKYJR-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.30
Rot. Bonds6

About 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid

3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 119212255) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
PubChem CID119212255
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(N2CCCCC2=O)cc1)C1CCOCC1
InChIInChI=1S/C20H26N2O5/c23-18-3-1-2-11-21(18)16-6-4-15(5-7-16)20(26)22(12-8-19(24)25)17-9-13-27-14-10-17/h4-7,17H,1-3,8-14H2,(H,24,25)
InChIKeyBQFRYGVZWKKYJR-UHFFFAOYSA-N
XLogP2.30
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidin-2-one
CID 55748028
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546528
2-[4-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]oxan-4-yl]acetic acid
CID 119214743
N-methoxy-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 134040883
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498

Frequently Asked Questions

What is the IUPAC name of 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid (CID 119212255) is 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid is O=C(O)CCN(C(=O)c1ccc(N2CCCCC2=O)cc1)C1CCOCC1.
What is the InChIKey of 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is BQFRYGVZWKKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18-3-1-2-11-21(18)16-6-4-15(5-7-16)20(26)22(12-8-19(24)25)17-9-13-27-14-10-17/h4-7,17H,1-3,8-14H2,(H,24,25).
What are the key properties of 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid?
3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119212255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).