2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid

C15H19NO4 — CID 119197383

IUPAC2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
SMILESC=CCOCCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-10-20-11-6-9-13(17)16-14(15(18)19)12-7-4-3-5-8-12/h2-5,7-8,14H,1,6,9-11H2,(H,16,17)(H,18,19)
InChIKeyDYWZLEZCLTYLFF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds9

About 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid

2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid (PubChem CID 119197383) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
PubChem CID119197383
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
SMILESC=CCOCCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-10-20-11-6-9-13(17)16-14(15(18)19)12-7-4-3-5-8-12/h2-5,7-8,14H,1,6,9-11H2,(H,16,17)(H,18,19)
InChIKeyDYWZLEZCLTYLFF-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(but-3-enoylamino)-2-phenylacetic acid
CID 62679483
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
2-phenyl-2-(prop-2-enoxycarbonylamino)acetic acid
CID 14854186
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid (CID 119197383) is 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid is C=CCOCCCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid?
The InChIKey is DYWZLEZCLTYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-10-20-11-6-9-13(17)16-14(15(18)19)12-7-4-3-5-8-12/h2-5,7-8,14H,1,6,9-11H2,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid?
2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid is sourced from PubChem (CID 119197383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).