tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate

C14H24N2O3 — CID 124835778

IUPACtert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O3/c1-9-8-10(9)15-12(17)11-6-5-7-16(11)13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,17)/t9-,10+,11-/m1/s1
InChIKeySJOPECHOQHDVMB-OUAUKWLOSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 124835778) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID124835778
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O3/c1-9-8-10(9)15-12(17)11-6-5-7-16(11)13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,17)/t9-,10+,11-/m1/s1
InChIKeySJOPECHOQHDVMB-OUAUKWLOSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14471857
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CID 173484458
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 12990507
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate
CID 126827788
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate (CID 124835778) is tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate is C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SJOPECHOQHDVMB-OUAUKWLOSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-8-10(9)15-12(17)11-6-5-7-16(11)13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,17)/t9-,10+,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124835778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).