2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid

C15H20N2O4 — CID 62695631

IUPAC2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESCOc1ccccc1CNC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O4/c1-21-12-5-3-2-4-11(12)8-16-13(18)9-17-14(15(19)20)10-6-7-10/h2-5,10,14,17H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyXZLNGZHBGDLPAE-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.76
Rot. Bonds8

About 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 62695631) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
PubChem CID62695631
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESCOc1ccccc1CNC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C15H20N2O4/c1-21-12-5-3-2-4-11(12)8-16-13(18)9-17-14(15(19)20)10-6-7-10/h2-5,10,14,17H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyXZLNGZHBGDLPAE-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38272161
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid (CID 62695631) is 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid is COc1ccccc1CNC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is XZLNGZHBGDLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-5-3-2-4-11(12)8-16-13(18)9-17-14(15(19)20)10-6-7-10/h2-5,10,14,17H,6-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62695631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).