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

C13H16N2O5 — CID 43387533

IUPAC2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOc1cccc(CC(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H16N2O5/c1-20-10-4-2-3-9(5-10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHTLRQEIAHWZSRN-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.45
Rot. Bonds7

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

2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43387533) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43387533
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOc1cccc(CC(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H16N2O5/c1-20-10-4-2-3-9(5-10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHTLRQEIAHWZSRN-UHFFFAOYSA-N
XLogP-0.45
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
CID 62033755
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid (CID 43387533) is 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid is COc1cccc(CC(=O)NCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is HTLRQEIAHWZSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-10-4-2-3-9(5-10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).