2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid

C10H19N3O5 — CID 114162542

IUPAC2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H19N3O5/c1-3-7(9(15)16)13(2)10(17)12-4-5-18-6-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQURWQLYPXSWOLN-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.01
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid

2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid (PubChem CID 114162542) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
PubChem CID114162542
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H19N3O5/c1-3-7(9(15)16)13(2)10(17)12-4-5-18-6-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyQURWQLYPXSWOLN-UHFFFAOYSA-N
XLogP-1.01
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
CID 55127012
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604
2-[methyl-(2-propoxyacetyl)amino]butanoic acid
CID 107937887
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
2-[methyl(2-prop-2-ynylsulfanylethylcarbamoyl)amino]butanoic acid
CID 106430930
2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid
CID 114943536
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid (CID 114162542) is 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCCOCC(N)=O.
What is the InChIKey of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid?
The InChIKey is QURWQLYPXSWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-7(9(15)16)13(2)10(17)12-4-5-18-6-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid?
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 114162542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).