2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid

C12H20N2O3 — CID 54945400

IUPAC2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-5-6-10)11(15)7-13(8-12(16)17)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyMGVITPLONWOGDC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.55
Rot. Bonds7

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

2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 54945400) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID54945400
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)C1CC1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-5-6-10)11(15)7-13(8-12(16)17)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyMGVITPLONWOGDC-UHFFFAOYSA-N
XLogP0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (CID 54945400) is 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is CCN(C(=O)CN(CC(=O)O)C1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is MGVITPLONWOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-14(10-5-6-10)11(15)7-13(8-12(16)17)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54945400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).