2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate

C13H22N2O3 — CID 6545801

IUPAC2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-18-13(17)15-7-3-4-11(15)12(16)14-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyRTJXWXKBHBQQPU-NSHDSACASA-N
MW254.33 g/mol
LogP1.52
Rot. Bonds4

About 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate

2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 6545801) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID6545801
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-18-13(17)15-7-3-4-11(15)12(16)14-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyRTJXWXKBHBQQPU-NSHDSACASA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 79345365
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
2-methylpropyl (2S,4R)-2-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 126005957
(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
CID 134490483
sodium tris[[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]oxy]boranuide
CID 131719405
2-O-tert-butyl 1-O-(2-methylpropyl) (2R)-pyrrolidine-1,2-dicarboxylate
CID 115536127
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate (CID 6545801) is 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is RTJXWXKBHBQQPU-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)8-18-13(17)15-7-3-4-11(15)12(16)14-10-5-6-10/h9-11H,3-8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate?
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 6545801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).