pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

C10H19NO3 — CID 63842504

IUPACpentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-14-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyYJFHJWQIBJDKEC-BDAKNGLRSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds5

About pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 63842504) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID63842504
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-14-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyYJFHJWQIBJDKEC-BDAKNGLRSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 78999645
2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 103178746
[8-(9-heptadecan-9-yloxyheptadecan-9-yloxy)-8-oxooctyl] (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 176885105
butyl 4-formylpyrrolidine-2-carboxylate
CID 152730408
butyl (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylate
CID 58092718
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
(8-heptadecan-9-yloxy-8-oxooctyl) (2S,5S)-5-hydroxypiperidine-2-carboxylate
CID 175933580
pentyl piperazine-2-carboxylate
CID 173092252
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237

Frequently Asked Questions

What is the IUPAC name of pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 63842504) is pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is CCCCCOC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is YJFHJWQIBJDKEC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-4-5-14-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 63842504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).