2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

C12H23N3O5 — CID 79269680

IUPAC2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCCCN(CC(N)=O)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H23N3O5/c1-3-4-5-14(8-10(13)16)12(19)15(6-7-20-2)9-11(17)18/h3-9H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyNASRXQZJCAQUJJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.27
Rot. Bonds10

About 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 79269680) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID79269680
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCCCN(CC(N)=O)C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C12H23N3O5/c1-3-4-5-14(8-10(13)16)12(19)15(6-7-20-2)9-11(17)18/h3-9H2,1-2H3,(H2,13,16)(H,17,18)
InChIKeyNASRXQZJCAQUJJ-UHFFFAOYSA-N
XLogP-0.27
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
CID 107433829
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
CID 119189224
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283178
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 79269680) is 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is CCCCN(CC(N)=O)C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is NASRXQZJCAQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-3-4-5-14(8-10(13)16)12(19)15(6-7-20-2)9-11(17)18/h3-9H2,1-2H3,(H2,13,16)(H,17,18).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of -0.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79269680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).