2-methyl-5-morpholin-4-ylpentanoic acid

C10H19NO3 — CID 20751269

IUPAC2-methyl-5-morpholin-4-ylpentanoic acid
SMILESCC(CCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXIBUYKRVGPDPCD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds5

About 2-methyl-5-morpholin-4-ylpentanoic acid

2-methyl-5-morpholin-4-ylpentanoic acid (PubChem CID 20751269) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylpentanoic acid
PubChem CID20751269
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-5-morpholin-4-ylpentanoic acid
SMILESCC(CCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXIBUYKRVGPDPCD-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
CID 165399164
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
formic acid;4-(4-methylpentyl)morpholine
CID 172564161
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylpentanoic acid?
The IUPAC name of 2-methyl-5-morpholin-4-ylpentanoic acid (CID 20751269) is 2-methyl-5-morpholin-4-ylpentanoic acid.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylpentanoic acid?
The canonical SMILES for 2-methyl-5-morpholin-4-ylpentanoic acid is CC(CCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-5-morpholin-4-ylpentanoic acid?
The InChIKey is XIBUYKRVGPDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(10(12)13)3-2-4-11-5-7-14-8-6-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5-morpholin-4-ylpentanoic acid?
2-methyl-5-morpholin-4-ylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 20751269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).