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

C14H17NO4 — CID 63701640

IUPAC2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C(C)=O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-9(16)15(11-6-7-11)13(14(17)18)10-4-3-5-12(8-10)19-2/h3-5,8,11,13H,6-7H2,1-2H3,(H,17,18)
InChIKeyDMMTVGQEHUBWNX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.83
Rot. Bonds5

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

2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid (PubChem CID 63701640) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
PubChem CID63701640
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C(C)=O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-9(16)15(11-6-7-11)13(14(17)18)10-4-3-5-12(8-10)19-2/h3-5,8,11,13H,6-7H2,1-2H3,(H,17,18)
InChIKeyDMMTVGQEHUBWNX-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63689483
2-[acetyl(cyclopropyl)amino]-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 63703990
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid (CID 63701640) is 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(C(=O)O)N(C(C)=O)C2CC2)c1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid?
The InChIKey is DMMTVGQEHUBWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)15(11-6-7-11)13(14(17)18)10-4-3-5-12(8-10)19-2/h3-5,8,11,13H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid?
2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 63701640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).