2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid

C14H29N3O4 — CID 79272017

IUPAC2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C14H29N3O4/c1-12(2)16(3)8-6-5-7-15-14(20)17(9-10-21-4)11-13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRWMHIGIIAKFQQE-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.85
Rot. Bonds11

About 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid

2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid (PubChem CID 79272017) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
PubChem CID79272017
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C14H29N3O4/c1-12(2)16(3)8-6-5-7-15-14(20)17(9-10-21-4)11-13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRWMHIGIIAKFQQE-UHFFFAOYSA-N
XLogP0.85
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
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-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
3-[ethyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]propanoic acid
CID 106038851
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[2-methoxyethyl(2-methylsulfinylpropylcarbamoyl)amino]acetic acid
CID 113364483
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[4-methoxybutylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79275399
2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79270901
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid (CID 79272017) is 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCCCN(C)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid?
The InChIKey is RWMHIGIIAKFQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-12(2)16(3)8-6-5-7-15-14(20)17(9-10-21-4)11-13(18)19/h12H,5-11H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).