4-(5-aminohexanoyl)morpholine-2-carboxylic acid

C11H20N2O4 — CID 82852225

IUPAC4-(5-aminohexanoyl)morpholine-2-carboxylic acid
SMILESCC(N)CCCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(12)3-2-4-10(14)13-5-6-17-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyBGXYQSQKCNIYGN-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds5

About 4-(5-aminohexanoyl)morpholine-2-carboxylic acid

4-(5-aminohexanoyl)morpholine-2-carboxylic acid (PubChem CID 82852225) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(5-aminohexanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-aminohexanoyl)morpholine-2-carboxylic acid
PubChem CID82852225
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(5-aminohexanoyl)morpholine-2-carboxylic acid
SMILESCC(N)CCCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(12)3-2-4-10(14)13-5-6-17-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyBGXYQSQKCNIYGN-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
(2S)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
CID 79261444
4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
CID 119239968
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
CID 104502499
(2S)-4-[5-(4-bromophenyl)pentanoyl]morpholine-2-carboxylic acid
CID 124700538

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminohexanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-aminohexanoyl)morpholine-2-carboxylic acid (CID 82852225) is 4-(5-aminohexanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-aminohexanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-aminohexanoyl)morpholine-2-carboxylic acid is CC(N)CCCC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(5-aminohexanoyl)morpholine-2-carboxylic acid?
The InChIKey is BGXYQSQKCNIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(12)3-2-4-10(14)13-5-6-17-9(7-13)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 4-(5-aminohexanoyl)morpholine-2-carboxylic acid?
4-(5-aminohexanoyl)morpholine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminohexanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 82852225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).