2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid

C8H14N2O5 — CID 107433829

IUPAC2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
SMILESCOCCC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-15-3-2-7(12)10(4-6(9)11)5-8(13)14/h2-5H2,1H3,(H2,9,11)(H,13,14)
InChIKeyNQODYTFGEHVAQD-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.58
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid (PubChem CID 107433829) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
PubChem CID107433829
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
SMILESCOCCC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-15-3-2-7(12)10(4-6(9)11)5-8(13)14/h2-5H2,1H3,(H2,9,11)(H,13,14)
InChIKeyNQODYTFGEHVAQD-UHFFFAOYSA-N
XLogP-1.58
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
CID 107434703
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
CID 107028882
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
3-methoxy-N,N-dimethylpropanamide
CID 159478663

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid (CID 107433829) is 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid is COCCC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid?
The InChIKey is NQODYTFGEHVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-15-3-2-7(12)10(4-6(9)11)5-8(13)14/h2-5H2,1H3,(H2,9,11)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid has a molecular weight of 218.21 g/mol, XLogP of -1.58, 7 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)-(3-methoxypropanoyl)amino]acetic acid is sourced from PubChem (CID 107433829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).