2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid

C14H23NO4 — CID 107214585

IUPAC2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCCCC1(O)CN(C(=O)C2CC(C)CC2C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-3-4-14(19)7-15(8-14)12(16)10-5-9(2)6-11(10)13(17)18/h9-11,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyNPPNSAZKCKIIFM-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.11
Rot. Bonds4

About 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid

2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 107214585) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID107214585
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCCCC1(O)CN(C(=O)C2CC(C)CC2C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-3-4-14(19)7-15(8-14)12(16)10-5-9(2)6-11(10)13(17)18/h9-11,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyNPPNSAZKCKIIFM-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
(3-hydroxy-3-propylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219771
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795
(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 107219851
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
CID 107219842
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317961
(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 114084354
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
(3-amino-3-propylazetidin-1-yl)-(2-methylcyclopentyl)methanone
CID 107184646

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid (CID 107214585) is 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid is CCCC1(O)CN(C(=O)C2CC(C)CC2C(=O)O)C1.
What is the InChIKey of 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is NPPNSAZKCKIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-4-14(19)7-15(8-14)12(16)10-5-9(2)6-11(10)13(17)18/h9-11,19H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107214585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).