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

C11H21N3O3 — CID 62637201

IUPAC2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-8(10(15)16)13(2)11(17)14(3)9-4-6-12-7-5-9/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyVACOIHJBTFLKOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds3

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

2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 62637201) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
PubChem CID62637201
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-8(10(15)16)13(2)11(17)14(3)9-4-6-12-7-5-9/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyVACOIHJBTFLKOR-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
CID 55007180
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 55096784
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
(2S)-3-hydroxy-2-[methyl(piperidin-4-yl)amino]propanoic acid
CID 121482131
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid (CID 62637201) is 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)N(C)C1CCNCC1.
What is the InChIKey of 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is VACOIHJBTFLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(10(15)16)13(2)11(17)14(3)9-4-6-12-7-5-9/h8-9,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid?
2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62637201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).