2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid

C8H16N2O5 — CID 108894318

IUPAC2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
SMILESCOCCOCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-6(7(11)12)10-8(13)9-5-15-4-3-14-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyHPNFUSHPBANVEP-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.62
Rot. Bonds7

About 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid

2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid (PubChem CID 108894318) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
PubChem CID108894318
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
SMILESCOCCOCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-6(7(11)12)10-8(13)9-5-15-4-3-14-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyHPNFUSHPBANVEP-UHFFFAOYSA-N
XLogP-0.62
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxymethylcarbamoylamino)propanoic 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

(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
CID 59345980
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid (CID 108894318) is 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid is COCCOCNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid?
The InChIKey is HPNFUSHPBANVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-6(7(11)12)10-8(13)9-5-15-4-3-14-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid?
2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid has a molecular weight of 220.22 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 108894318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).