2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid

C14H20N2O4 — CID 43457126

IUPAC2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
SMILESCCOCCNC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-3-20-10-9-15-13(19)16-14(2,12(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPNVXZDPNNAYAPO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds7

About 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid

2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid (PubChem CID 43457126) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
PubChem CID43457126
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
SMILESCCOCCNC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-3-20-10-9-15-13(19)16-14(2,12(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyPNVXZDPNNAYAPO-UHFFFAOYSA-N
XLogP1.32
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
CID 103463206
2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029
2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid
CID 106450975
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317508
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 43093716
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid (CID 43457126) is 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid is CCOCCNC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid?
The InChIKey is PNVXZDPNNAYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-10-9-15-13(19)16-14(2,12(17)18)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid?
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 43457126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).