2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid

C14H17NO5 — CID 43471767

IUPAC2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H17NO5/c1-19-11-4-2-3-10(14(17)18)13(11)20-8-12(16)15-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNJWOBEGRROHGPH-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.30
Rot. Bonds7

About 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid

2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid (PubChem CID 43471767) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
PubChem CID43471767
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H17NO5/c1-19-11-4-2-3-10(14(17)18)13(11)20-8-12(16)15-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNJWOBEGRROHGPH-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471761
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61379229
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
N-(cyclopropylmethyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]acetamide
CID 43516699
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The IUPAC name of 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid (CID 43471767) is 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
The InChIKey is NJWOBEGRROHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-4-2-3-10(14(17)18)13(11)20-8-12(16)15-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid?
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 43471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).