2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid

C18H23NO4 — CID 120548857

IUPAC2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid
SMILESO=C(CC/C=C/c1ccccc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C18H23NO4/c20-16(11-5-4-9-14-7-2-1-3-8-14)19-17(18(21)22)15-10-6-12-23-13-15/h1-4,7-9,15,17H,5-6,10-13H2,(H,19,20)(H,21,22)/b9-4+
InChIKeyLCBXINWEPYJQEQ-RUDMXATFSA-N
MW317.38 g/mol
LogP2.48
Rot. Bonds7

About 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid

2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid (PubChem CID 120548857) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid
PubChem CID120548857
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid
SMILESO=C(CC/C=C/c1ccccc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C18H23NO4/c20-16(11-5-4-9-14-7-2-1-3-8-14)19-17(18(21)22)15-10-6-12-23-13-15/h1-4,7-9,15,17H,5-6,10-13H2,(H,19,20)(H,21,22)/b9-4+
InChIKeyLCBXINWEPYJQEQ-RUDMXATFSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-(oxan-3-yl)-2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]acetic acid
CID 120549036
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-[5-(4-methylphenyl)pentanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548583
2-(oxan-3-yl)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetic acid
CID 120548015
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 120547564
2-(oxan-3-yl)-2-[3-(1,3-thiazol-2-yl)propanoylamino]acetic acid
CID 120547636
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]acetic acid
CID 120548890
2-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547563

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid (CID 120548857) is 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid is O=C(CC/C=C/c1ccccc1)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid?
The InChIKey is LCBXINWEPYJQEQ-RUDMXATFSA-N. The full InChI is InChI=1S/C18H23NO4/c20-16(11-5-4-9-14-7-2-1-3-8-14)19-17(18(21)22)15-10-6-12-23-13-15/h1-4,7-9,15,17H,5-6,10-13H2,(H,19,20)(H,21,22)/b9-4+.
What are the key properties of 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid?
2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid has a molecular weight of 317.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid is sourced from PubChem (CID 120548857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).