3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C12H24N2O7 — CID 173187285

IUPAC3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCC(OCCNC(N)=O)OCCOCCOCCC(=O)O
InChIInChI=1S/C12H24N2O7/c1-10(20-5-3-14-12(13)17)21-9-8-19-7-6-18-4-2-11(15)16/h10H,2-9H2,1H3,(H,15,16)(H3,13,14,17)
InChIKeyCFVNKYLKJDONHD-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.46
Rot. Bonds14

About 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 173187285) has the molecular formula C12H24N2O7 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID173187285
Molecular FormulaC12H24N2O7
Molecular Weight308.33 g/mol
Exact Mass308.16
IUPAC Name3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCC(OCCNC(N)=O)OCCOCCOCCC(=O)O
InChIInChI=1S/C12H24N2O7/c1-10(20-5-3-14-12(13)17)21-9-8-19-7-6-18-4-2-11(15)16/h10H,2-9H2,1H3,(H,15,16)(H3,13,14,17)
InChIKeyCFVNKYLKJDONHD-UHFFFAOYSA-N
XLogP-0.46
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride
CID 173310243
2-propan-2-yloxyethylurea
CID 22179539
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
2-(3-oxobutoxy)ethylurea
CID 176664573
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
3-[2-[2-[2-[2-[2-[2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170596914
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 173187285) is 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CC(OCCNC(N)=O)OCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is CFVNKYLKJDONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O7/c1-10(20-5-3-14-12(13)17)21-9-8-19-7-6-18-4-2-11(15)16/h10H,2-9H2,1H3,(H,15,16)(H3,13,14,17).
What are the key properties of 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 308.33 g/mol, XLogP of -0.46, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 173187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).