3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid

C14H25N3O3 — CID 82002419

IUPAC3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCCC(N(C)C(=O)NC(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H25N3O3/c1-16-7-3-4-11(9-16)17(2)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCOIJVDDIONMVAT-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds5

About 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid

3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 82002419) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
PubChem CID82002419
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
SMILESCN1CCCC(N(C)C(=O)NC(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H25N3O3/c1-16-7-3-4-11(9-16)17(2)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCOIJVDDIONMVAT-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 62710044
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
5-methoxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 81086075
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
3-cyclopropyl-3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 82003478
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]butanedioic acid
CID 115144584
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid (CID 82002419) is 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid is CN1CCCC(N(C)C(=O)NC(CC(=O)O)C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is COIJVDDIONMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16-7-3-4-11(9-16)17(2)14(20)15-12(8-13(18)19)10-5-6-10/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid?
3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82002419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).