3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid

C15H29N3O3 — CID 81067259

IUPAC3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC(C)CN1CCCC1)CC(=O)O
InChIInChI=1S/C15H29N3O3/c1-3-13(8-14(19)20)10-17-15(21)16-9-12(2)11-18-6-4-5-7-18/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyNBMFOZJTZOICGN-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.52
Rot. Bonds9

About 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid

3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 81067259) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
PubChem CID81067259
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC(C)CN1CCCC1)CC(=O)O
InChIInChI=1S/C15H29N3O3/c1-3-13(8-14(19)20)10-17-15(21)16-9-12(2)11-18-6-4-5-7-18/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyNBMFOZJTZOICGN-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111338197
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
3-(azepan-1-ylmethyl)pentanoic acid
CID 81071515
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 79800845
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[(2-thiomorpholin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 106326379
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid (CID 81067259) is 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NCC(C)CN1CCCC1)CC(=O)O.
What is the InChIKey of 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is NBMFOZJTZOICGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-13(8-14(19)20)10-17-15(21)16-9-12(2)11-18-6-4-5-7-18/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid?
3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81067259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).