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

C15H29N3O3 — CID 65226844

IUPAC3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
SMILESCC(CNC(=O)NCC(C(=O)O)C(C)C)CN1CCCC1
InChIInChI=1S/C15H29N3O3/c1-11(2)13(14(19)20)9-17-15(21)16-8-12(3)10-18-6-4-5-7-18/h11-13H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyJCJPDFRLWUUJHG-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.37
Rot. Bonds8

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

3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid (PubChem CID 65226844) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
PubChem CID65226844
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
SMILESCC(CNC(=O)NCC(C(=O)O)C(C)C)CN1CCCC1
InChIInChI=1S/C15H29N3O3/c1-11(2)13(14(19)20)9-17-15(21)16-8-12(3)10-18-6-4-5-7-18/h11-13H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyJCJPDFRLWUUJHG-UHFFFAOYSA-N
XLogP1.37
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 79800845
3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81067259
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111338197
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 62992815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid (CID 65226844) is 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid is CC(CNC(=O)NCC(C(=O)O)C(C)C)CN1CCCC1.
What is the InChIKey of 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid?
The InChIKey is JCJPDFRLWUUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)13(14(19)20)9-17-15(21)16-8-12(3)10-18-6-4-5-7-18/h11-13H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid?
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65226844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).