(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

C12H21NO4 — CID 54200282

IUPAC(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyPOSVYQQTVOINRC-SNVBAGLBSA-N
MW243.30 g/mol
LogP0.98
Rot. Bonds5

About (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid

(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (PubChem CID 54200282) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
PubChem CID54200282
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
SMILESCC(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyPOSVYQQTVOINRC-SNVBAGLBSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
CID 11565984
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 166717166
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid (CID 54200282) is (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is CC(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
The InChIKey is POSVYQQTVOINRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)7-10(12(15)16)8-11(14)13-3-5-17-6-4-13/h9-10H,3-8H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid?
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid is sourced from PubChem (CID 54200282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).