1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 81172474

IUPAC1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(CC(=O)N2CC(O)CC2C(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c13-7-12(2-1-3-12)5-10(16)14-6-8(15)4-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18)
InChIKeyLEZNRQYDIPVCKR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.45
Rot. Bonds4

About 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 81172474) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID81172474
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(CC(=O)N2CC(O)CC2C(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c13-7-12(2-1-3-12)5-10(16)14-6-8(15)4-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18)
InChIKeyLEZNRQYDIPVCKR-UHFFFAOYSA-N
XLogP-0.45
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054
(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
CID 81169332
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
CID 65242000
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 81172474) is 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is NCC1(CC(=O)N2CC(O)CC2C(=O)O)CCC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LEZNRQYDIPVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-7-12(2-1-3-12)5-10(16)14-6-8(15)4-9(14)11(17)18/h8-9,15H,1-7,13H2,(H,17,18).
What are the key properties of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81172474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).