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

C11H18N2O5 — CID 55245176

IUPAC2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)CC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O5/c1-2-13(8-3-4-8)9(14)5-12(6-10(15)16)7-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHYHTWIJHYWXFKR-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.53
Rot. Bonds8

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

2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 55245176) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID55245176
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CN(CC(=O)O)CC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O5/c1-2-13(8-3-4-8)9(14)5-12(6-10(15)16)7-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHYHTWIJHYWXFKR-UHFFFAOYSA-N
XLogP-0.53
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
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-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
CID 55241234
N-cyclohexyl-N-ethyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666221
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62026607
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (CID 55245176) is 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is CCN(C(=O)CN(CC(=O)O)CC(=O)O)C1CC1.
What is the InChIKey of 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is HYHTWIJHYWXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-13(8-3-4-8)9(14)5-12(6-10(15)16)7-11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 55245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).