2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid

C10H18N2O4 — CID 107141943

IUPAC2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCOC(CO)C2)CNC1
InChIInChI=1S/C10H18N2O4/c13-5-8-4-12(1-2-16-8)10(3-9(14)15)6-11-7-10/h8,11,13H,1-7H2,(H,14,15)
InChIKeyJNODGPLPKLRJAE-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.50
Rot. Bonds4

About 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid

2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid (PubChem CID 107141943) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
PubChem CID107141943
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCOC(CO)C2)CNC1
InChIInChI=1S/C10H18N2O4/c13-5-8-4-12(1-2-16-8)10(3-9(14)15)6-11-7-10/h8,11,13H,1-7H2,(H,14,15)
InChIKeyJNODGPLPKLRJAE-UHFFFAOYSA-N
XLogP-1.50
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]acetic acid
CID 107141899
2-[3-[3-(aminomethyl)pyrrolidin-1-yl]azetidin-3-yl]acetic acid
CID 107141762
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)azetidin-3-yl]acetic acid
CID 107141922
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)azetidin-3-yl]acetic acid
CID 107141752
2-[3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 107141946
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242
2-[3-[3-(methoxymethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107143244
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid (CID 107141943) is 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid is O=C(O)CC1(N2CCOC(CO)C2)CNC1.
What is the InChIKey of 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid?
The InChIKey is JNODGPLPKLRJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-5-8-4-12(1-2-16-8)10(3-9(14)15)6-11-7-10/h8,11,13H,1-7H2,(H,14,15).
What are the key properties of 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid?
2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(hydroxymethyl)morpholin-4-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).