(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid

C12H21NO5 — CID 125150816

IUPAC(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
SMILESCCCCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21NO5/c1-3-4-6-17-9(2)11(14)13-5-7-18-10(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyGJHJKNMPJYVFQS-NXEZZACHSA-N
MW259.30 g/mol
LogP0.50
Rot. Bonds6

About (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid

(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid (PubChem CID 125150816) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
PubChem CID125150816
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
SMILESCCCCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21NO5/c1-3-4-6-17-9(2)11(14)13-5-7-18-10(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyGJHJKNMPJYVFQS-NXEZZACHSA-N
XLogP0.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
CID 119412902
2-butoxy-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580184
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
4-(3-ethylheptanoyl)morpholine-2-carboxylic acid
CID 119239968
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
CID 119376332
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid (CID 125150816) is (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid is CCCCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid?
The InChIKey is GJHJKNMPJYVFQS-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-4-6-17-9(2)11(14)13-5-7-18-10(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid?
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125150816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).