3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid

C14H25N3O3 — CID 83019747

IUPAC3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(12-6-7-12)9-8-13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyWGUPKUIQGZDIMH-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds5

About 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid (PubChem CID 83019747) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
PubChem CID83019747
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
SMILESCC1CCCC(C)N1NC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(12-6-7-12)9-8-13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyWGUPKUIQGZDIMH-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 83017156
3-[Tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
CID 83017632
3-[Ethyl(piperidin-1-ylcarbamoyl)amino]propanoic acid
CID 83019486
2-[Cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83019509
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
CID 83019593
3-[Cyclopropyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]propanoic acid
CID 83019602
2-[Cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83019667
4-[Piperidin-1-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 83019739
3-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]propanoic acid
CID 83019744
3-[(4-Methylpiperazin-1-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 83019759
3-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 83019828
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid (CID 83019747) is 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid is CC1CCCC(C)N1NC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
The InChIKey is WGUPKUIQGZDIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(12-6-7-12)9-8-13(18)19/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 83019747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).