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

C9H16N2O3 — CID 61489399

IUPAC2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C1CC1
InChIInChI=1S/C9H16N2O3/c1-10(6-9(13)14)5-8(12)11(2)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLJIYCPMKBGBCQR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.38
Rot. Bonds5

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

2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 61489399) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID61489399
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)C1CC1
InChIInChI=1S/C9H16N2O3/c1-10(6-9(13)14)5-8(12)11(2)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyLJIYCPMKBGBCQR-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide
CID 166189099
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
N-cyclohexyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 115749267
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 61489399) is 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)N(C)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is LJIYCPMKBGBCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(6-9(13)14)5-8(12)11(2)7-3-4-7/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 61489399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).