4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid

C17H29NO4 — CID 120521645

IUPAC4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
SMILESCC(C)(C)C1CCC(CC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C17H29NO4/c1-17(2,3)13-6-4-12(5-7-13)10-15(19)18-8-9-22-11-14(18)16(20)21/h12-14H,4-11H2,1-3H3,(H,20,21)
InChIKeyZCVIAPXXRYBDJA-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.54
Rot. Bonds3

About 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid

4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid (PubChem CID 120521645) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
PubChem CID120521645
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
SMILESCC(C)(C)C1CCC(CC(=O)N2CCOCC2C(=O)O)CC1
InChIInChI=1S/C17H29NO4/c1-17(2,3)13-6-4-12(5-7-13)10-15(19)18-8-9-22-11-14(18)16(20)21/h12-14H,4-11H2,1-3H3,(H,20,21)
InChIKeyZCVIAPXXRYBDJA-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
CID 119216843
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
4-[4-(4-methylphenyl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 119215840
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid (CID 120521645) is 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid is CC(C)(C)C1CCC(CC(=O)N2CCOCC2C(=O)O)CC1.
What is the InChIKey of 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is ZCVIAPXXRYBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-17(2,3)13-6-4-12(5-7-13)10-15(19)18-8-9-22-11-14(18)16(20)21/h12-14H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid?
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 311.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 120521645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).