3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid

C10H18N2O4 — CID 127018772

IUPAC3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18N2O4/c11-6-8(9(13)14)12-3-1-2-10(7-12)15-4-5-16-10/h8H,1-7,11H2,(H,13,14)
InChIKeyXVVYLRJFWNBDQY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.76
Rot. Bonds3

About 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid

3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid (PubChem CID 127018772) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid
PubChem CID127018772
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid
SMILESNCC(C(=O)O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18N2O4/c11-6-8(9(13)14)12-3-1-2-10(7-12)15-4-5-16-10/h8H,1-7,11H2,(H,13,14)
InChIKeyXVVYLRJFWNBDQY-UHFFFAOYSA-N
XLogP-0.76
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid?
The IUPAC name of 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid (CID 127018772) is 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid is NCC(C(=O)O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid?
The InChIKey is XVVYLRJFWNBDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-6-8(9(13)14)12-3-1-2-10(7-12)15-4-5-16-10/h8H,1-7,11H2,(H,13,14).
What are the key properties of 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid?
3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propanoic acid is sourced from PubChem (CID 127018772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).