4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid

C17H23NO4 — CID 120547201

IUPAC4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCO1
InChIInChI=1S/C17H23NO4/c19-16(12-15-7-4-10-22-15)18-14(8-9-17(20)21)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,19)(H,20,21)
InChIKeyRXWYIOJMJIUPKV-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.15
Rot. Bonds8

About 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid

4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 120547201) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
PubChem CID120547201
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCO1
InChIInChI=1S/C17H23NO4/c19-16(12-15-7-4-10-22-15)18-14(8-9-17(20)21)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,19)(H,20,21)
InChIKeyRXWYIOJMJIUPKV-UHFFFAOYSA-N
XLogP2.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122027734
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid (CID 120547201) is 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCO1.
What is the InChIKey of 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is RXWYIOJMJIUPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(12-15-7-4-10-22-15)18-14(8-9-17(20)21)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid?
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).