methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

C15H24N2O4 — CID 136581324

IUPACmethyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-21-15(20)13-8-12(18)9-17(13)14(19)10-4-6-16(7-5-10)11-2-3-11/h10-13,18H,2-9H2,1H3/t12-,13+/m1/s1
InChIKeyKVEZANUGKIRYQD-OLZOCXBDSA-N
MW296.37 g/mol
LogP-0.00
Rot. Bonds3

About methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 136581324) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID136581324
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-21-15(20)13-8-12(18)9-17(13)14(19)10-4-6-16(7-5-10)11-2-3-11/h10-13,18H,2-9H2,1H3/t12-,13+/m1/s1
InChIKeyKVEZANUGKIRYQD-OLZOCXBDSA-N
XLogP-0.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
2-O-methyl 1-O-(3-methylbutan-2-yl) (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 163576880
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 145006373
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2S,4R)-1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 154984807
methyl 4-hydroxy-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylate
CID 103310506
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (CID 136581324) is methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(C2CC2)CC1.
What is the InChIKey of methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KVEZANUGKIRYQD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-21-15(20)13-8-12(18)9-17(13)14(19)10-4-6-16(7-5-10)11-2-3-11/h10-13,18H,2-9H2,1H3/t12-,13+/m1/s1.
What are the key properties of methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-(1-cyclopropylpiperidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 136581324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).