3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid

C12H22N2O5 — CID 18918055

IUPAC3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)OCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(2)10(11(15)16)13-12(17)19-8-5-14-3-6-18-7-4-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQMQBKFFKRXKNLB-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.15
Rot. Bonds6

About 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid

3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid (PubChem CID 18918055) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid
PubChem CID18918055
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)OCCN1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(2)10(11(15)16)13-12(17)19-8-5-14-3-6-18-7-4-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQMQBKFFKRXKNLB-UHFFFAOYSA-N
XLogP0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid (CID 18918055) is 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid is CC(C)C(NC(=O)OCCN1CCOCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid?
The InChIKey is QMQBKFFKRXKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(2)10(11(15)16)13-12(17)19-8-5-14-3-6-18-7-4-14/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid?
3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 18918055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).