2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid

C14H16N2O5 — CID 43387522

IUPAC2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)6-7-12(17)15-8-13(18)16-9-14(19)20/h2-7H,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)/b7-6+
InChIKeyFRWCCMCBGABLQS-VOTSOKGWSA-N
MW292.29 g/mol
LogP0.03
Rot. Bonds7

About 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid (PubChem CID 43387522) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
PubChem CID43387522
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)6-7-12(17)15-8-13(18)16-9-14(19)20/h2-7H,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)/b7-6+
InChIKeyFRWCCMCBGABLQS-VOTSOKGWSA-N
XLogP0.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
3-methoxy-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 103153296
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 46496007
(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 24792853
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid (CID 43387522) is 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid is COc1ccccc1/C=C/C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid?
The InChIKey is FRWCCMCBGABLQS-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-11-5-3-2-4-10(11)6-7-12(17)15-8-13(18)16-9-14(19)20/h2-7H,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)/b7-6+.
What are the key properties of 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).