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

C8H14N2O5 — CID 61011883

IUPAC2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(=O)OC
InChIInChI=1S/C8H14N2O5/c1-3-10(5-7(12)13)4-6(11)9-8(14)15-2/h3-5H2,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyNYJWJDMLDMDBEZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.72
Rot. Bonds5

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

2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 61011883) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
PubChem CID61011883
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)NC(=O)OC
InChIInChI=1S/C8H14N2O5/c1-3-10(5-7(12)13)4-6(11)9-8(14)15-2/h3-5H2,1-2H3,(H,12,13)(H,9,11,14)
InChIKeyNYJWJDMLDMDBEZ-UHFFFAOYSA-N
XLogP-0.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 60834931
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012552
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
4-(diethylamino)-3-oxobutanoic acid
CID 89310098
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 61011603
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid (CID 61011883) is 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid is CCN(CC(=O)O)CC(=O)NC(=O)OC.
What is the InChIKey of 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is NYJWJDMLDMDBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-3-10(5-7(12)13)4-6(11)9-8(14)15-2/h3-5H2,1-2H3,(H,12,13)(H,9,11,14).
What are the key properties of 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 218.21 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 61011883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).