2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate

C10H19NO4 — CID 78999645

IUPAC2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)OCCOC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO4/c1-7(2)14-3-4-15-10(13)9-5-8(12)6-11-9/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyHHUZKKXKVJJTIN-RKDXNWHRSA-N
MW217.26 g/mol
LogP-0.32
Rot. Bonds5

About 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate

2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 78999645) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID78999645
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)OCCOC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO4/c1-7(2)14-3-4-15-10(13)9-5-8(12)6-11-9/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyHHUZKKXKVJJTIN-RKDXNWHRSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 103178746
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
2-propan-2-yloxyethyl 3-hydroxycyclohexane-1-carboxylate
CID 71088948
2-propan-2-yloxyethyl (3R)-3-hydroxycyclohexane-1-carboxylate
CID 71033428
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 78999645) is 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate is CC(C)OCCOC(=O)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is HHUZKKXKVJJTIN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)14-3-4-15-10(13)9-5-8(12)6-11-9/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 217.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 78999645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).