4-(2-aminopentanoylamino)-3-ethoxybutanoic acid

C11H22N2O4 — CID 114227038

IUPAC4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
SMILESCCCC(N)C(=O)NCC(CC(=O)O)OCC
InChIInChI=1S/C11H22N2O4/c1-3-5-9(12)11(16)13-7-8(17-4-2)6-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDLUZRSDJAHGORW-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.11
Rot. Bonds9

About 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid

4-(2-aminopentanoylamino)-3-ethoxybutanoic acid (PubChem CID 114227038) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
PubChem CID114227038
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-(2-aminopentanoylamino)-3-ethoxybutanoic acid
SMILESCCCC(N)C(=O)NCC(CC(=O)O)OCC
InChIInChI=1S/C11H22N2O4/c1-3-5-9(12)11(16)13-7-8(17-4-2)6-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDLUZRSDJAHGORW-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
(2R)-2-amino-N-butylpentanamide
CID 82668431
ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
CID 119290933
4-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-3-ethoxybutanoic acid
CID 114227219
2-amino-N-propylpentanamide
CID 43649977
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid?
The IUPAC name of 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid (CID 114227038) is 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid.
What is the SMILES notation for 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid?
The canonical SMILES for 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid is CCCC(N)C(=O)NCC(CC(=O)O)OCC.
What is the InChIKey of 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid?
The InChIKey is DLUZRSDJAHGORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-5-9(12)11(16)13-7-8(17-4-2)6-10(14)15/h8-9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid?
4-(2-aminopentanoylamino)-3-ethoxybutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-3-ethoxybutanoic acid is sourced from PubChem (CID 114227038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).