[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium

C12H24NO4+ — CID 143048267

IUPAC[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium
SMILESCCCC(CCC)C(=O)O[C@H](C)C([NH3+])C(=O)O
InChIInChI=1S/C12H23NO4/c1-4-6-9(7-5-2)12(16)17-8(3)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)/p+1/t8-,10?/m1/s1
InChIKeyYDUUSWRLZWEYAD-HNHGDDPOSA-O
MW246.33 g/mol
LogP0.83
Rot. Bonds8

About [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium

[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium (PubChem CID 143048267) has the molecular formula C12H24NO4+ and a molecular weight of 246.33 g/mol. Its IUPAC name is [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium.

Molecular Properties

Compound Name[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium
PubChem CID143048267
Molecular FormulaC12H24NO4+
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium
SMILESCCCC(CCC)C(=O)O[C@H](C)C([NH3+])C(=O)O
InChIInChI=1S/C12H23NO4/c1-4-6-9(7-5-2)12(16)17-8(3)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)/p+1/t8-,10?/m1/s1
InChIKeyYDUUSWRLZWEYAD-HNHGDDPOSA-O
XLogP0.83
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-(2-propylpentanoyloxy)butanoic acid;hydrochloride
CID 141148874
2-propylpentanoyl 2-propylpentanoate
CID 10923624
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
silyl 2-propylpentanoate
CID 123713518
ethene;ethyl 2-propylpentanoate
CID 160741230
2-(aminooxymethyl)pentanoic acid
CID 105429041
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
pentan-2-yl 2-butyloctanoate
CID 126658986
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
propan-2-yl 2-pentyloctanoate
CID 130235852

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium?
The IUPAC name of [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium (CID 143048267) is [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium.
What is the SMILES notation for [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium?
The canonical SMILES for [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium is CCCC(CCC)C(=O)O[C@H](C)C([NH3+])C(=O)O.
What is the InChIKey of [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium?
The InChIKey is YDUUSWRLZWEYAD-HNHGDDPOSA-O. The full InChI is InChI=1S/C12H23NO4/c1-4-6-9(7-5-2)12(16)17-8(3)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)/p+1/t8-,10?/m1/s1.
What are the key properties of [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium?
[(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium has a molecular weight of 246.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-carboxy-2-(2-propylpentanoyloxy)propyl]azanium is sourced from PubChem (CID 143048267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).