methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate

C9H14ClNO3 — CID 71850543

IUPACmethyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESC=C(Cl)CN1C[C@@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C9H14ClNO3/c1-6(10)4-11-5-7(12)3-8(11)9(13)14-2/h7-8,12H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeyUAISBCSSZLRFMU-YUMQZZPRSA-N
MW219.67 g/mol
LogP0.35
Rot. Bonds3

About methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 71850543) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID71850543
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Namemethyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESC=C(Cl)CN1C[C@@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C9H14ClNO3/c1-6(10)4-11-5-7(12)3-8(11)9(13)14-2/h7-8,12H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeyUAISBCSSZLRFMU-YUMQZZPRSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
CID 112632836
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate (CID 71850543) is methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate is C=C(Cl)CN1C[C@@H](O)C[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is UAISBCSSZLRFMU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14ClNO3/c1-6(10)4-11-5-7(12)3-8(11)9(13)14-2/h7-8,12H,1,3-5H2,2H3/t7-,8-/m0/s1.
What are the key properties of methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 219.67 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 71850543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).