2-propan-2-ylmorpholine-3-carboxylic acid

C8H15NO3 — CID 142725546

IUPAC2-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)C1OCCNC1C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)7-6(8(10)11)9-3-4-12-7/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyLJWXWJKGHOHAIG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.08
Rot. Bonds2

About 2-propan-2-ylmorpholine-3-carboxylic acid

2-propan-2-ylmorpholine-3-carboxylic acid (PubChem CID 142725546) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-propan-2-ylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylmorpholine-3-carboxylic acid
PubChem CID142725546
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)C1OCCNC1C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(2)7-6(8(10)11)9-3-4-12-7/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyLJWXWJKGHOHAIG-UHFFFAOYSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6602347
2-[(4-Hydroxy-4-methyloxan-3-yl)amino]-4-methylpentanoic acid
CID 3383157
2-[(4-Hydroxyoxan-4-yl)methylamino]-4-methylpentanoic acid
CID 14861614
(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
CID 6398425
(2S)-2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]propanoic acid
CID 14036482
(S)-4-Methyl-2-(tetrahydro-pyran-4-ylamino)-pentanoic acid
CID 15458709
3-Acetyloxy-2-(methylamino)pentanoic acid
CID 17956845
3-Hydroxy-4-methyl-2-(methylamino)pentanoic acid
CID 18354232
4-Methyl-2-(oxan-4-ylamino)pentanoic acid
CID 18418725
N[1-(R)-Ethoxycarbonylethyl]-L-leucine
CID 18597313
3-(1-Hydroxyethyl)morpholin-2-one
CID 22379807
(2R,3S)-2-methylmorpholine-3-carboxylic acid
CID 45791333

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylmorpholine-3-carboxylic acid?
The IUPAC name of 2-propan-2-ylmorpholine-3-carboxylic acid (CID 142725546) is 2-propan-2-ylmorpholine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylmorpholine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-ylmorpholine-3-carboxylic acid is CC(C)C1OCCNC1C(=O)O.
What is the InChIKey of 2-propan-2-ylmorpholine-3-carboxylic acid?
The InChIKey is LJWXWJKGHOHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7-6(8(10)11)9-3-4-12-7/h5-7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-propan-2-ylmorpholine-3-carboxylic acid?
2-propan-2-ylmorpholine-3-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylmorpholine-3-carboxylic acid is sourced from PubChem (CID 142725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).