2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid

C11H20N2O4 — CID 54968957

IUPAC2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O4/c1-8(11(16)12-9-3-4-9)13(5-6-17-2)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyUWEGYJJWWSKDCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds8

About 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid

2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 54968957) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
PubChem CID54968957
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O4/c1-8(11(16)12-9-3-4-9)13(5-6-17-2)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyUWEGYJJWWSKDCJ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62853862
2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272291
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid (CID 54968957) is 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(C)C(=O)NC1CC1.
What is the InChIKey of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is UWEGYJJWWSKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(11(16)12-9-3-4-9)13(5-6-17-2)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 54968957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).