2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid

C11H23N3O3 — CID 107424410

IUPAC2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCCCNC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)14(9-10(15)16)8-7-13(2)3/h4-9H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWTVATIZCTHIDKA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.44
Rot. Bonds8

About 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107424410) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107424410
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCCCCNC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)14(9-10(15)16)8-7-13(2)3/h4-9H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWTVATIZCTHIDKA-UHFFFAOYSA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
2-[2-acetamidoethylcarbamoyl(propyl)amino]acetic acid
CID 61201140
2-[hex-5-ynylcarbamoyl(propyl)amino]acetic acid
CID 106215879
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[methyl(pentadecylcarbamoyl)amino]acetic acid
CID 20527934
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
methyl 4-[[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzoate
CID 69299765
4-(diethylcarbamoylamino)butanoic acid
CID 28511499

Frequently Asked Questions

What is the IUPAC name of 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107424410) is 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid is CCCCNC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is WTVATIZCTHIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)14(9-10(15)16)8-7-13(2)3/h4-9H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107424410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).