2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid

C10H19N3O5 — CID 107438506

IUPAC2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
SMILESCOCCCCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O5/c1-18-5-3-2-4-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyZWZRDYJBRJJEKU-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.01
Rot. Bonds9

About 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid (PubChem CID 107438506) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
PubChem CID107438506
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
SMILESCOCCCCNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H19N3O5/c1-18-5-3-2-4-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyZWZRDYJBRJJEKU-UHFFFAOYSA-N
XLogP-1.01
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pentanoic acid
CID 103103549
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
CID 107433829
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[carboxymethyl(5-methylsulfanylpentylcarbamoyl)amino]acetic acid
CID 114128545
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid (CID 107438506) is 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid is COCCCCNC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid?
The InChIKey is ZWZRDYJBRJJEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-18-5-3-2-4-12-10(17)13(6-8(11)14)7-9(15)16/h2-7H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of -1.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107438506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).