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

C14H27N3O3 — CID 79800845

IUPAC2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC(C)CN1CCCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-14(3,12(18)19)16-13(20)15-9-11(2)10-17-7-5-6-8-17/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyGJLATBDWPIVUNE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds7

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

2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid (PubChem CID 79800845) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
PubChem CID79800845
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC(C)CN1CCCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-4-14(3,12(18)19)16-13(20)15-9-11(2)10-17-7-5-6-8-17/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyGJLATBDWPIVUNE-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
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
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
3-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81067259
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
1-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 97087331
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111338197
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methyl-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83019899
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid (CID 79800845) is 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)NCC(C)CN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
The InChIKey is GJLATBDWPIVUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-14(3,12(18)19)16-13(20)15-9-11(2)10-17-7-5-6-8-17/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid?
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).