3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid

C13H25N3O3 — CID 61191817

IUPAC3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-16(10-7-12(17)18)13(19)15(3)11-5-8-14(2)9-6-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyYOHYFNJVMIKMSQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.93
Rot. Bonds5

About 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid

3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 61191817) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
PubChem CID61191817
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-16(10-7-12(17)18)13(19)15(3)11-5-8-14(2)9-6-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyYOHYFNJVMIKMSQ-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydro-alpha,alpha,alpha',alpha'-tetramethyl-2-oxo-2H,4H-pyrimidine-1,3-dipropionic acid
CID 100481
3-[Propan-2-yl-[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 65530596
3-[Propan-2-yl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 65539098
3-[(4,4-Difluoropiperidine-1-carbonyl)-methylamino]-4,4,4-trifluorobutanoic acid
CID 167861451
3-[(4-Piperidin-1-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 19358567
3-[Methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 20719688
3-[4-(Dimethylamino)piperidin-1-yl]propanoic acid
CID 43586199
3-[[(1-Ethylpiperidin-4-yl)-methylcarbamoyl]amino]propanoic acid
CID 55002551
2-Oxo-1,3-dipropyl-1,3-diazinane-5-carboxylic acid
CID 57880939
3-[2-Oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid
CID 59907829
3-[[Methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191985
3-[(4-Aminopiperidine-1-carbonyl)amino]propanoic acid
CID 61402662

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid (CID 61191817) is 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is YOHYFNJVMIKMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-16(10-7-12(17)18)13(19)15(3)11-5-8-14(2)9-6-11/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61191817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).