4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

C21H30N2O4 — CID 122028037

IUPAC4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C21H30N2O4/c24-20(25)9-8-18(15-16-5-2-1-3-6-16)22-21(26)23-12-10-17(11-13-23)19-7-4-14-27-19/h1-3,5-6,17-19H,4,7-15H2,(H,22,26)(H,24,25)
InChIKeyHJXDOBVSYYCMJR-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.06
Rot. Bonds7

About 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122028037) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122028037
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C21H30N2O4/c24-20(25)9-8-18(15-16-5-2-1-3-6-16)22-21(26)23-12-10-17(11-13-23)19-7-4-14-27-19/h1-3,5-6,17-19H,4,7-15H2,(H,22,26)(H,24,25)
InChIKeyHJXDOBVSYYCMJR-UHFFFAOYSA-N
XLogP3.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
5-phenyl-4-[[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028199
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
5-phenyl-4-[[4-(propylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122027108

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122028037) is 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCC(C2CCCO2)CC1.
What is the InChIKey of 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is HJXDOBVSYYCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-20(25)9-8-18(15-16-5-2-1-3-6-16)22-21(26)23-12-10-17(11-13-23)19-7-4-14-27-19/h1-3,5-6,17-19H,4,7-15H2,(H,22,26)(H,24,25).
What are the key properties of 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).