2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid

C14H28N2O5 — CID 82937387

IUPAC2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CCOCC)CCOCC
InChIInChI=1S/C14H28N2O5/c1-4-7-16(12-13(17)18)14(19)15(8-10-20-5-2)9-11-21-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyGNCDBUNNLFNVLD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.28
Rot. Bonds12

About 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid

2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid (PubChem CID 82937387) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
PubChem CID82937387
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CCOCC)CCOCC
InChIInChI=1S/C14H28N2O5/c1-4-7-16(12-13(17)18)14(19)15(8-10-20-5-2)9-11-21-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyGNCDBUNNLFNVLD-UHFFFAOYSA-N
XLogP1.28
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
2-[acetyl(propyl)amino]acetic acid
CID 23279438

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid (CID 82937387) is 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(CCOCC)CCOCC.
What is the InChIKey of 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid?
The InChIKey is GNCDBUNNLFNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-4-7-16(12-13(17)18)14(19)15(8-10-20-5-2)9-11-21-6-3/h4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid?
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 82937387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).