4-(3-ethoxypropyl)morpholine-2-carboxylic acid

C10H19NO4 — CID 65180987

IUPAC4-(3-ethoxypropyl)morpholine-2-carboxylic acid
SMILESCCOCCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C10H19NO4/c1-2-14-6-3-4-11-5-7-15-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHHQBWRGDXCISHU-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds6

About 4-(3-ethoxypropyl)morpholine-2-carboxylic acid

4-(3-ethoxypropyl)morpholine-2-carboxylic acid (PubChem CID 65180987) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxypropyl)morpholine-2-carboxylic acid
PubChem CID65180987
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(3-ethoxypropyl)morpholine-2-carboxylic acid
SMILESCCOCCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C10H19NO4/c1-2-14-6-3-4-11-5-7-15-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHHQBWRGDXCISHU-UHFFFAOYSA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
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

methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
4-hept-6-enylmorpholine-2-carboxylic acid
CID 107007820
4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
CID 53393294
(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid
CID 124567569
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
4-(4-ethoxybutyl)morpholine
CID 10726253
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387
4-(2-methylpentyl)morpholine-2-carboxylic acid
CID 62266429
4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid
CID 172686558

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-ethoxypropyl)morpholine-2-carboxylic acid (CID 65180987) is 4-(3-ethoxypropyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxypropyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethoxypropyl)morpholine-2-carboxylic acid is CCOCCCN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-ethoxypropyl)morpholine-2-carboxylic acid?
The InChIKey is HHQBWRGDXCISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-14-6-3-4-11-5-7-15-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(3-ethoxypropyl)morpholine-2-carboxylic acid?
4-(3-ethoxypropyl)morpholine-2-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65180987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).