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

C13H25N3O4 — CID 66175959

IUPAC2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NCC(C)(O)C(=O)O)CN1CCCC1
InChIInChI=1S/C13H25N3O4/c1-10(8-16-5-3-4-6-16)7-14-12(19)15-9-13(2,20)11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyDSBPLVAWPYJVSM-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.15
Rot. Bonds7

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

2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (PubChem CID 66175959) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
PubChem CID66175959
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NCC(C)(O)C(=O)O)CN1CCCC1
InChIInChI=1S/C13H25N3O4/c1-10(8-16-5-3-4-6-16)7-14-12(19)15-9-13(2,20)11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyDSBPLVAWPYJVSM-UHFFFAOYSA-N
XLogP-0.15
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
2-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 79800845
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111505087
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
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
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 111338197
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (CID 66175959) is 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is CC(CNC(=O)NCC(C)(O)C(=O)O)CN1CCCC1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The InChIKey is DSBPLVAWPYJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(8-16-5-3-4-6-16)7-14-12(19)15-9-13(2,20)11(17)18/h10,20H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 66175959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).