2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid

C15H21NO5 — CID 61002329

IUPAC2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(NCC2CC2)C(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-19-11-7-13(21-3)12(20-2)6-10(11)14(15(17)18)16-8-9-4-5-9/h6-7,9,14,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGQRGKTVJYCIBGH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.84
Rot. Bonds8

About 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid

2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid (PubChem CID 61002329) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
PubChem CID61002329
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(NCC2CC2)C(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-19-11-7-13(21-3)12(20-2)6-10(11)14(15(17)18)16-8-9-4-5-9/h6-7,9,14,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGQRGKTVJYCIBGH-UHFFFAOYSA-N
XLogP1.84
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
2-(2-methylpropylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61001564
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(cyclopropylmethylamino)-2-(2,4,6-trimethoxyphenyl)acetamide
CID 60995248
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
CID 60785844
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
2-(cyclopropylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
CID 19363178
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid (CID 61002329) is 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid is COc1cc(OC)c(C(NCC2CC2)C(=O)O)cc1OC.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is GQRGKTVJYCIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-11-7-13(21-3)12(20-2)6-10(11)14(15(17)18)16-8-9-4-5-9/h6-7,9,14,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid?
2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 61002329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).