4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid

C16H24N2O3 — CID 60838256

IUPAC4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H24N2O3/c19-16(20)7-4-8-18(15-5-2-1-3-6-15)10-9-17-11-13-21-14-12-17/h1-3,5-6H,4,7-14H2,(H,19,20)
InChIKeySXFMVYKKQRBJJQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds8

About 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid

4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid (PubChem CID 60838256) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
PubChem CID60838256
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H24N2O3/c19-16(20)7-4-8-18(15-5-2-1-3-6-15)10-9-17-11-13-21-14-12-17/h1-3,5-6H,4,7-14H2,(H,19,20)
InChIKeySXFMVYKKQRBJJQ-UHFFFAOYSA-N
XLogP1.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-(2-morpholin-4-ylethyl)anilino]propan-1-ol
CID 111543585
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
CID 82320048
2-[(3S,4S)-1-(morpholine-4-carbonyl)-3-[2-[N-(2-morpholin-4-ylethyl)anilino]ethyl]piperidin-4-yl]acetic acid
CID 163163254
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
4-[N-(furan-3-ylmethyl)anilino]butanoic acid
CID 65057027
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460
2-[(3R,4S)-1-(4-methylphenyl)sulfonyl-3-[2-[N-(2-morpholin-4-ylethyl)anilino]ethyl]piperidin-4-yl]acetic acid
CID 28960205
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid (CID 60838256) is 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid is O=C(O)CCCN(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid?
The InChIKey is SXFMVYKKQRBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16(20)7-4-8-18(15-5-2-1-3-6-15)10-9-17-11-13-21-14-12-17/h1-3,5-6H,4,7-14H2,(H,19,20).
What are the key properties of 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid?
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid is sourced from PubChem (CID 60838256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).