(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid

C8H15NO3 — CID 45116070

IUPAC(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
SMILESCCCO[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyAZDNHPLXONKNHP-BQBZGAKWSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds4

About (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid

(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid (PubChem CID 45116070) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
PubChem CID45116070
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
SMILESCCCO[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyAZDNHPLXONKNHP-BQBZGAKWSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-butoxypyrrolidine-2-carboxylic acid
CID 126667812
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
CID 168737415
(2S,4R)-4-octadecanoyloxypyrrolidine-2-carboxylic acid
CID 102380312
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
1-(4-methoxypyrrolidin-2-yl)-2-propoxyethanone
CID 116560666
4-(2-methylprop-2-enoyloxy)pyrrolidine-2-carboxylic acid
CID 76658036
(2S,4R)-4-[2-[2-(1,2,3,4,6-pentahydroxy-5-methylhexoxy)ethylamino]ethoxy]pyrrolidine-2-carboxylic acid
CID 138750474
(2R,4R)-4-(4-heptylphenoxy)pyrrolidine-2-carboxylic acid
CID 71070502

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid (CID 45116070) is (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid is CCCO[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid?
The InChIKey is AZDNHPLXONKNHP-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid?
(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-propoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45116070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).