2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid

C10H18N2O4 — CID 103156000

IUPAC2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
SMILESCOC(CN)CC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-16-8(4-11)3-9(13)12-5-7(6-12)2-10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyBXTGCJVZYZAMNY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds6

About 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid

2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid (PubChem CID 103156000) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
PubChem CID103156000
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
SMILESCOC(CN)CC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-16-8(4-11)3-9(13)12-5-7(6-12)2-10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyBXTGCJVZYZAMNY-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
CID 107220567
4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
CID 106668761
4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
CID 103156842
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid (CID 103156000) is 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid is COC(CN)CC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid?
The InChIKey is BXTGCJVZYZAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-8(4-11)3-9(13)12-5-7(6-12)2-10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid?
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 103156000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).