4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid

C11H19NO5 — CID 54452684

IUPAC4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(2)7-9(10(13)14)17-11(15)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyWWASETLQTTXROF-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds4

About 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid

4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid (PubChem CID 54452684) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
PubChem CID54452684
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
SMILESCC(C)CC(OC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(2)7-9(10(13)14)17-11(15)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyWWASETLQTTXROF-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
CID 69049862
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
methyl morpholine-4-carboxylate
CID 12575354
[1-[(3-cyanocyclohexyl)-pyrrolidin-3-ylamino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 91431017

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid?
The IUPAC name of 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid (CID 54452684) is 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid?
The canonical SMILES for 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid is CC(C)CC(OC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid?
The InChIKey is WWASETLQTTXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(2)7-9(10(13)14)17-11(15)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid?
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid is sourced from PubChem (CID 54452684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).