2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid

C12H23N3O3 — CID 55007180

IUPAC2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)N(C)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-9(11(16)17)8-14(2)12(18)15(3)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyRKLPPTRDMCQHAK-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.44
Rot. Bonds4

About 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 55007180) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
PubChem CID55007180
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)N(C)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-9(11(16)17)8-14(2)12(18)15(3)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3,(H,16,17)
InChIKeyRKLPPTRDMCQHAK-UHFFFAOYSA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
CID 62637201
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid (CID 55007180) is 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid is CC(CN(C)C(=O)N(C)C1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is RKLPPTRDMCQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(11(16)17)8-14(2)12(18)15(3)10-4-6-13-7-5-10/h9-10,13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55007180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).