(3S)-4-chloromorpholine-3-carboxylic acid

C5H8ClNO3 — CID 121451605

IUPAC(3S)-4-chloromorpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1Cl
InChIInChI=1S/C5H8ClNO3/c6-7-1-2-10-3-4(7)5(8)9/h4H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyRMGTWSGGRTXUOG-BYPYZUCNSA-N
MW165.58 g/mol
LogP-0.07
Rot. Bonds1

About (3S)-4-chloromorpholine-3-carboxylic acid

(3S)-4-chloromorpholine-3-carboxylic acid (PubChem CID 121451605) has the molecular formula C5H8ClNO3 and a molecular weight of 165.58 g/mol. Its IUPAC name is (3S)-4-chloromorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-chloromorpholine-3-carboxylic acid
PubChem CID121451605
Molecular FormulaC5H8ClNO3
Molecular Weight165.58 g/mol
Exact Mass165.02
IUPAC Name(3S)-4-chloromorpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1Cl
InChIInChI=1S/C5H8ClNO3/c6-7-1-2-10-3-4(7)5(8)9/h4H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyRMGTWSGGRTXUOG-BYPYZUCNSA-N
XLogP-0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
4-(disulfanyl)morpholine-3-carboxylic acid
CID 174164325
4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-(2-bicyclo[3.1.0]hexanyl)morpholine-3-carboxylic acid
CID 83835004
4-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxylic acid
CID 103961433
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
CID 119216843
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737

Frequently Asked Questions

What is the IUPAC name of (3S)-4-chloromorpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-chloromorpholine-3-carboxylic acid (CID 121451605) is (3S)-4-chloromorpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-chloromorpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-chloromorpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1Cl.
What is the InChIKey of (3S)-4-chloromorpholine-3-carboxylic acid?
The InChIKey is RMGTWSGGRTXUOG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8ClNO3/c6-7-1-2-10-3-4(7)5(8)9/h4H,1-3H2,(H,8,9)/t4-/m0/s1.
What are the key properties of (3S)-4-chloromorpholine-3-carboxylic acid?
(3S)-4-chloromorpholine-3-carboxylic acid has a molecular weight of 165.58 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-chloromorpholine-3-carboxylic acid is sourced from PubChem (CID 121451605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).