4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid

C12H20N2O4 — CID 114111577

IUPAC4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
SMILESCC(C)(NC(=O)N1CCOC(C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O4/c1-12(2,8-3-4-8)13-11(17)14-5-6-18-9(7-14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJEVNETREUOUQIE-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds3

About 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid

4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid (PubChem CID 114111577) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
PubChem CID114111577
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
SMILESCC(C)(NC(=O)N1CCOC(C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O4/c1-12(2,8-3-4-8)13-11(17)14-5-6-18-9(7-14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJEVNETREUOUQIE-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 114118255
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid (CID 114111577) is 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid is CC(C)(NC(=O)N1CCOC(C(=O)O)C1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The InChIKey is JEVNETREUOUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,8-3-4-8)13-11(17)14-5-6-18-9(7-14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 114111577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).