4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid

C16H23NO4 — CID 120547298

IUPAC4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
SMILESCCOC(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVVCISMNGUHVAPH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds9

About 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid

4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid (PubChem CID 120547298) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
PubChem CID120547298
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
SMILESCCOC(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVVCISMNGUHVAPH-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid (CID 120547298) is 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid is CCOC(C)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid?
The InChIKey is VVCISMNGUHVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-12(2)16(20)17-14(9-10-15(18)19)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid?
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 120547298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).