(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride

C14H26ClNO5 — CID 25155288

IUPAC(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
SMILESCCCC(CCC)C(=O)OCOC(=O)CCC(=O)CN.Cl
InChIInChI=1S/C14H25NO5.ClH/c1-3-5-11(6-4-2)14(18)20-10-19-13(17)8-7-12(16)9-15;/h11H,3-10,15H2,1-2H3;1H
InChIKeyOJUGTWYCTUIIIG-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.98
Rot. Bonds11

About (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride

(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride (PubChem CID 25155288) has the molecular formula C14H26ClNO5 and a molecular weight of 323.82 g/mol. Its IUPAC name is (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride.

Molecular Properties

Compound Name(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
PubChem CID25155288
Molecular FormulaC14H26ClNO5
Molecular Weight323.82 g/mol
Exact Mass323.15
IUPAC Name(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride
SMILESCCCC(CCC)C(=O)OCOC(=O)CCC(=O)CN.Cl
InChIInChI=1S/C14H25NO5.ClH/c1-3-5-11(6-4-2)14(18)20-10-19-13(17)8-7-12(16)9-15;/h11H,3-10,15H2,1-2H3;1H
InChIKeyOJUGTWYCTUIIIG-UHFFFAOYSA-N
XLogP1.98
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.98
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

1-(5-amino-4-oxopentanoyl)oxyethyl 2-propylpentanoate
CID 25155295
(2-aminoacetyl) 2-propylpentanoate
CID 87611330
dibutyl 2-propylpentanedioate
CID 175323703
ethene;ethyl 2-propylpentanoate
CID 160741230
2-propylpentanoyl 2-propylpentanoate
CID 10923624
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
CID 171382550
1-aminopentan-2-ol;1-aminopentan-2-one
CID 143109890
dipropyl 4,7-dioxodecanedioate
CID 174356334
silyl 2-propylpentanoate
CID 123713518
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride?
The IUPAC name of (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride (CID 25155288) is (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride.
What is the SMILES notation for (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride?
The canonical SMILES for (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride is CCCC(CCC)C(=O)OCOC(=O)CCC(=O)CN.Cl.
What is the InChIKey of (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride?
The InChIKey is OJUGTWYCTUIIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5.ClH/c1-3-5-11(6-4-2)14(18)20-10-19-13(17)8-7-12(16)9-15;/h11H,3-10,15H2,1-2H3;1H.
What are the key properties of (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride?
(5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-oxopentanoyl)oxymethyl 2-propylpentanoate;hydrochloride is sourced from PubChem (CID 25155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).