(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane

C10H23NO3 — CID 144850884

IUPAC(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane
SMILESCC.CO[C@@H](CCC(=O)O)CN(C)C
InChIInChI=1S/C8H17NO3.C2H6/c1-9(2)6-7(12-3)4-5-8(10)11;1-2/h7H,4-6H2,1-3H3,(H,10,11);1-2H3/t7-;/m0./s1
InChIKeyCALFXILRYCJNAQ-FJXQXJEOSA-N
MW205.30 g/mol
LogP1.45
Rot. Bonds6

About (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane

(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane (PubChem CID 144850884) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane.

Molecular Properties

Compound Name(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane
PubChem CID144850884
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane
SMILESCC.CO[C@@H](CCC(=O)O)CN(C)C
InChIInChI=1S/C8H17NO3.C2H6/c1-9(2)6-7(12-3)4-5-8(10)11;1-2/h7H,4-6H2,1-3H3,(H,10,11);1-2H3/t7-;/m0./s1
InChIKeyCALFXILRYCJNAQ-FJXQXJEOSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane?
The IUPAC name of (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane (CID 144850884) is (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane.
What is the SMILES notation for (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane?
The canonical SMILES for (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane is CC.CO[C@@H](CCC(=O)O)CN(C)C.
What is the InChIKey of (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane?
The InChIKey is CALFXILRYCJNAQ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO3.C2H6/c1-9(2)6-7(12-3)4-5-8(10)11;1-2/h7H,4-6H2,1-3H3,(H,10,11);1-2H3/t7-;/m0./s1.
What are the key properties of (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane?
(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane has a molecular weight of 205.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane is sourced from PubChem (CID 144850884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).