1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 63996144

IUPAC1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CC1CC1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8(7-9-4-5-9)13-12(17)14-6-2-3-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyYCDKHCQPPSLGKK-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds4

About 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 63996144) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID63996144
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CC1CC1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8(7-9-4-5-9)13-12(17)14-6-2-3-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyYCDKHCQPPSLGKK-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2R)-1-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104874921
(2S,4R)-1-(1-cyclopropylpropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63995741
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
1-(1-cyclohexylethylcarbamoyl)azepane-2-carboxylic acid
CID 64563711
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 63996144) is 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(CC1CC1)NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YCDKHCQPPSLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(7-9-4-5-9)13-12(17)14-6-2-3-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63996144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).