2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

C14H25N3O3 — CID 83019509

IUPAC2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(9-13(18)19)8-12-6-7-12/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXTXWJTKVHMJBBF-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.67
Rot. Bonds5

About 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (PubChem CID 83019509) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
PubChem CID83019509
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(9-13(18)19)8-12-6-7-12/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXTXWJTKVHMJBBF-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (CID 83019509) is 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is CC1CCCC(C)N1NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The InChIKey is XTXWJTKVHMJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-4-3-5-11(2)17(10)15-14(20)16(9-13(18)19)8-12-6-7-12/h10-12H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 83019509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).