ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate

C9H17NO3 — CID 131844507

IUPACethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](CCO)CN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(3-4-11)6-10-8/h7-8,10-11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyYJZILJVMRVFMOA-YUMQZZPRSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds4

About ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate

ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate (PubChem CID 131844507) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
PubChem CID131844507
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](CCO)CN1
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(3-4-11)6-10-8/h7-8,10-11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyYJZILJVMRVFMOA-YUMQZZPRSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl 4-tert-butylpyrrolidine-2-carboxylate
CID 172520224
methyl (2S)-4-(3-methylbutyl)pyrrolidine-2-carboxylate
CID 143708498
ethyl (1S,2R,4S)-2-ethyl-4-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 86678539
ethyl piperazine-2-carboxylate
CID 10633257
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 140523794
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate (CID 131844507) is ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@H](CCO)CN1.
What is the InChIKey of ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is YJZILJVMRVFMOA-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)8-5-7(3-4-11)6-10-8/h7-8,10-11H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate?
ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 131844507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).