ethyl 3-(2-propylpentanoylamino)propanoate

C13H25NO3 — CID 23363631

IUPACethyl 3-(2-propylpentanoylamino)propanoate
SMILESCCCC(CCC)C(=O)NCCC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-4-7-11(8-5-2)13(16)14-10-9-12(15)17-6-3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeySACQBRSTBFPKFY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.27
Rot. Bonds9

About ethyl 3-(2-propylpentanoylamino)propanoate

ethyl 3-(2-propylpentanoylamino)propanoate (PubChem CID 23363631) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-(2-propylpentanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-propylpentanoylamino)propanoate
PubChem CID23363631
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-(2-propylpentanoylamino)propanoate
SMILESCCCC(CCC)C(=O)NCCC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-4-7-11(8-5-2)13(16)14-10-9-12(15)17-6-3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKeySACQBRSTBFPKFY-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583
ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
CID 119290933
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
diethyl 2-(2-propylpentanoylamino)propanedioate
CID 82989756
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
N-ethoxy-2-propylpentanamide
CID 115532275
diethyl 4-acetylheptanedioate
CID 15669145
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
diethyl 2-propylbutanedioate;N-ethylethanamine
CID 174714247
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-propylpentanoylamino)propanoate?
The IUPAC name of ethyl 3-(2-propylpentanoylamino)propanoate (CID 23363631) is ethyl 3-(2-propylpentanoylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-propylpentanoylamino)propanoate?
The canonical SMILES for ethyl 3-(2-propylpentanoylamino)propanoate is CCCC(CCC)C(=O)NCCC(=O)OCC.
What is the InChIKey of ethyl 3-(2-propylpentanoylamino)propanoate?
The InChIKey is SACQBRSTBFPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-7-11(8-5-2)13(16)14-10-9-12(15)17-6-3/h11H,4-10H2,1-3H3,(H,14,16).
What are the key properties of ethyl 3-(2-propylpentanoylamino)propanoate?
ethyl 3-(2-propylpentanoylamino)propanoate has a molecular weight of 243.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-propylpentanoylamino)propanoate is sourced from PubChem (CID 23363631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).