1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate

C15H27NO5 — CID 25155295

IUPAC1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(C)OC(=O)CCC(=O)CN
InChIInChI=1S/C15H27NO5/c1-4-6-12(7-5-2)15(19)21-11(3)20-14(18)9-8-13(17)10-16/h11-12H,4-10,16H2,1-3H3
InChIKeyUUINUAMWHPIZEY-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.94
Rot. Bonds11

About 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate

1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate (PubChem CID 25155295) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate.

Molecular Properties

Compound Name1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate
PubChem CID25155295
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC(C)OC(=O)CCC(=O)CN
InChIInChI=1S/C15H27NO5/c1-4-6-12(7-5-2)15(19)21-11(3)20-14(18)9-8-13(17)10-16/h11-12H,4-10,16H2,1-3H3
InChIKeyUUINUAMWHPIZEY-UHFFFAOYSA-N
XLogP1.94
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
CID 25155288
1-(2,2-dimethylpropanoyloxy)ethyl 5-amino-4-oxopentanoate
CID 25155293
(2-aminoacetyl) 2-propylpentanoate
CID 87611330
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702
4-O-[(3S)-1-amino-4-oxopentan-3-yl] 1-O-pentan-2-yl butanedioate
CID 121429264
2-propylpentanoyl 2-propylpentanoate
CID 10923624
2-chloropropanoyl 5-amino-4-oxopentanoate
CID 175073903
4-O-(3-methylbutan-2-yl) 1-O-pentan-2-yl butanedioate
CID 91701929
[(2R)-heptan-2-yl] 4-oxononanoate
CID 118050913
pentan-2-yl 6-aminohexanoate
CID 102982561
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
4-O-decan-2-yl 1-O-pentan-2-yl butanedioate
CID 91702306

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate?
The IUPAC name of 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate (CID 25155295) is 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate.
What is the SMILES notation for 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate?
The canonical SMILES for 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate is CCCC(CCC)C(=O)OC(C)OC(=O)CCC(=O)CN.
What is the InChIKey of 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate?
The InChIKey is UUINUAMWHPIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-4-6-12(7-5-2)15(19)21-11(3)20-14(18)9-8-13(17)10-16/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate?
1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate has a molecular weight of 301.38 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate is sourced from PubChem (CID 25155295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).