2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid

C10H15N3O3 — CID 129499902

IUPAC2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1CN(CC(=O)O)C[C@H]1n1ccnc1
InChIInChI=1S/C10H15N3O3/c1-16-9-5-12(6-10(14)15)4-8(9)13-3-2-11-7-13/h2-3,7-9H,4-6H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyKQWHABVKYOWNTA-BDAKNGLRSA-N
MW225.25 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid

2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid (PubChem CID 129499902) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid
PubChem CID129499902
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1CN(CC(=O)O)C[C@H]1n1ccnc1
InChIInChI=1S/C10H15N3O3/c1-16-9-5-12(6-10(14)15)4-8(9)13-3-2-11-7-13/h2-3,7-9H,4-6H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyKQWHABVKYOWNTA-BDAKNGLRSA-N
XLogP-0.16
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol
CID 129496964
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
CID 129496972
2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
CID 121202197
methyl 3-[[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 98875034
2-amino-1-[(3R,4R)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]ethanone
CID 129497089
2-chloro-1-(3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl)butan-1-one
CID 121203985
(2S)-2-chloro-1-[(3R,4S)-3-hydroxy-4-imidazol-1-ylpyrrolidin-1-yl]propan-1-one
CID 129495840
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215361
(3R,4R)-1-(2-azidoethyl)-4-imidazol-1-ylpyrrolidin-3-ol
CID 129497656

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid (CID 129499902) is 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid is CO[C@H]1CN(CC(=O)O)C[C@H]1n1ccnc1.
What is the InChIKey of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid?
The InChIKey is KQWHABVKYOWNTA-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-9-5-12(6-10(14)15)4-8(9)13-3-2-11-7-13/h2-3,7-9H,4-6H2,1H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid?
2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 129499902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).