1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone

C10H20N2O3 — CID 175786723

IUPAC1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CNCC(CO)CO)C1
InChIInChI=1S/C10H20N2O3/c1-8(15)12-4-9(5-12)2-11-3-10(6-13)7-14/h9-11,13-14H,2-7H2,1H3
InChIKeyLMARVVNQWSRZPX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.34
Rot. Bonds6

About 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone

1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone (PubChem CID 175786723) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone
PubChem CID175786723
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CNCC(CO)CO)C1
InChIInChI=1S/C10H20N2O3/c1-8(15)12-4-9(5-12)2-11-3-10(6-13)7-14/h9-11,13-14H,2-7H2,1H3
InChIKeyLMARVVNQWSRZPX-UHFFFAOYSA-N
XLogP-1.34
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
CID 90299465
1-[(3S)-3-[[[2,3-dihydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 175786713
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 83996454
1-[3-(2-methoxyethyl)azetidin-1-yl]ethanone
CID 166687809
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone (CID 175786723) is 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone is CC(=O)N1CC(CNCC(CO)CO)C1.
What is the InChIKey of 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone?
The InChIKey is LMARVVNQWSRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(15)12-4-9(5-12)2-11-3-10(6-13)7-14/h9-11,13-14H,2-7H2,1H3.
What are the key properties of 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone?
1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 175786723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).