2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid

C12H22N2O4 — CID 64582086

IUPAC2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid
SMILESCC(=O)NC(CNCCOC1CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(15)14-11(12(16)17)8-13-6-7-18-10-4-2-3-5-10/h10-11,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGFXNDCLRBXQXAL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.12
Rot. Bonds8

About 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid

2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid (PubChem CID 64582086) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid
PubChem CID64582086
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid
SMILESCC(=O)NC(CNCCOC1CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(15)14-11(12(16)17)8-13-6-7-18-10-4-2-3-5-10/h10-11,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGFXNDCLRBXQXAL-UHFFFAOYSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyclohexyloxyethylamino)-2-methylpropanamide
CID 63827162
N-(2-cyclopentyloxyethyl)-3-(ethylamino)-2-methylpropanamide
CID 63828827
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120
(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
CID 63826961
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-acetamido-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 64581277
3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 63834760

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid (CID 64582086) is 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid is CC(=O)NC(CNCCOC1CCCC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid?
The InChIKey is GFXNDCLRBXQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(15)14-11(12(16)17)8-13-6-7-18-10-4-2-3-5-10/h10-11,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid?
2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-cyclopentyloxyethylamino)propanoic acid is sourced from PubChem (CID 64582086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).