2-amino-4-morpholin-4-ylbutanoic acid

C8H16N2O3 — CID 22907130

IUPAC2-amino-4-morpholin-4-ylbutanoic acid
SMILESNC(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-7(8(11)12)1-2-10-3-5-13-6-4-10/h7H,1-6,9H2,(H,11,12)
InChIKeyONSDVFIYMCKDLR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.88
Rot. Bonds4

About 2-amino-4-morpholin-4-ylbutanoic acid

2-amino-4-morpholin-4-ylbutanoic acid (PubChem CID 22907130) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-morpholin-4-ylbutanoic acid
PubChem CID22907130
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-4-morpholin-4-ylbutanoic acid
SMILESNC(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C8H16N2O3/c9-7(8(11)12)1-2-10-3-5-13-6-4-10/h7H,1-6,9H2,(H,11,12)
InChIKeyONSDVFIYMCKDLR-UHFFFAOYSA-N
XLogP-0.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21192212
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CID 21873271
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CID 22326380
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CID 22907121
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CID 22907122
CID 22907122
CID 28394891
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CID 54220363
CID 54220363

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-amino-4-morpholin-4-ylbutanoic acid (CID 22907130) is 2-amino-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-amino-4-morpholin-4-ylbutanoic acid is NC(CCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-morpholin-4-ylbutanoic acid?
The InChIKey is ONSDVFIYMCKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-7(8(11)12)1-2-10-3-5-13-6-4-10/h7H,1-6,9H2,(H,11,12).
What are the key properties of 2-amino-4-morpholin-4-ylbutanoic acid?
2-amino-4-morpholin-4-ylbutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 22907130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).