2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid

C17H24N2O6 — CID 119037277

IUPAC2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
SMILESCCOc1cc(NC(=O)NC(C(=O)O)C2CCCOC2)ccc1OC
InChIInChI=1S/C17H24N2O6/c1-3-25-14-9-12(6-7-13(14)23-2)18-17(22)19-15(16(20)21)11-5-4-8-24-10-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyITDDMHWBYBLMSE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.10
Rot. Bonds7

About 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid

2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid (PubChem CID 119037277) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
PubChem CID119037277
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
SMILESCCOc1cc(NC(=O)NC(C(=O)O)C2CCCOC2)ccc1OC
InChIInChI=1S/C17H24N2O6/c1-3-25-14-9-12(6-7-13(14)23-2)18-17(22)19-15(16(20)21)11-5-4-8-24-10-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyITDDMHWBYBLMSE-UHFFFAOYSA-N
XLogP2.10
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
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-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[(3S)-oxolan-3-yl]acetic acid
CID 100730213
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid (CID 119037277) is 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid is CCOc1cc(NC(=O)NC(C(=O)O)C2CCCOC2)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid?
The InChIKey is ITDDMHWBYBLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-3-25-14-9-12(6-7-13(14)23-2)18-17(22)19-15(16(20)21)11-5-4-8-24-10-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid?
2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 119037277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).