2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid

C15H20N2O4 — CID 43656602

IUPAC2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCOc1cccc(NC(=O)CN(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(7-13)16-14(18)9-17(10-15(19)20)8-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeySVHSJWUDRYKXMG-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 43656602) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
PubChem CID43656602
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCOc1cccc(NC(=O)CN(CC(=O)O)CC2CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(7-13)16-14(18)9-17(10-15(19)20)8-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKeySVHSJWUDRYKXMG-UHFFFAOYSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[(3-methoxyphenyl)carbamoyl]amino]acetic acid
CID 43656055
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid (CID 43656602) is 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid is COc1cccc(NC(=O)CN(CC(=O)O)CC2CC2)c1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is SVHSJWUDRYKXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(7-13)16-14(18)9-17(10-15(19)20)8-11-5-6-11/h2-4,7,11H,5-6,8-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).