2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid

C18H25NO7 — CID 120547869

IUPAC2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)NC(C(=O)O)C2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO7/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-15(20)19-16(18(21)22)12-5-4-6-26-10-12/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJMPFUYATNBPQLD-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.25
Rot. Bonds8

About 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid

2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid (PubChem CID 120547869) has the molecular formula C18H25NO7 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
PubChem CID120547869
Molecular FormulaC18H25NO7
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC Name2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cc(CC(=O)NC(C(=O)O)C2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO7/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-15(20)19-16(18(21)22)12-5-4-6-26-10-12/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJMPFUYATNBPQLD-UHFFFAOYSA-N
XLogP1.25
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548031
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
CID 119037277
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
2-[5-(4-methylphenyl)pentanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548583
2-(oxan-3-yl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]acetic acid
CID 120547959

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid (CID 120547869) is 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid is COc1cc(CC(=O)NC(C(=O)O)C2CCCOC2)cc(OC)c1OC.
What is the InChIKey of 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid?
The InChIKey is JMPFUYATNBPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO7/c1-23-13-7-11(8-14(24-2)17(13)25-3)9-15(20)19-16(18(21)22)12-5-4-6-26-10-12/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid?
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid has a molecular weight of 367.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 120547869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).