2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid

C15H27N3O3 — CID 107164823

IUPAC2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCN1CCC(C)(CNC(=O)N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(5-7-17(2)8-6-15)11-16-14(21)18(10-13(19)20)9-12-3-4-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDAZXMEMXUIKELU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds6

About 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 107164823) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID107164823
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCN1CCC(C)(CNC(=O)N(CC(=O)O)CC2CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(5-7-17(2)8-6-15)11-16-14(21)18(10-13(19)20)9-12-3-4-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDAZXMEMXUIKELU-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-Methylpiperidin-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264415
2-[(2,2,3,3-Tetramethylcyclopropyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79361492
2-[(1-Ethylcyclopropyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104003268
2-[(1-Propan-2-ylcyclopropyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104003495
2-[(1-Propylcyclopropyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104003794
2-[(3-Methylpiperidine-1-carbonyl)amino]acetic acid
CID 23378214
2-[(4-Ethylpiperidine-1-carbonyl)amino]acetic acid
CID 23378244
2-[(4-Methylpiperidine-1-carbonyl)amino]acetic acid
CID 23378254
2-[[Butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
CID 141135639
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-Methylpiperidine-1-carbonyl)amino]propanoic acid
CID 4428531
2-[Methyl-(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 43135670

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid (CID 107164823) is 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid is CN1CCC(C)(CNC(=O)N(CC(=O)O)CC2CC2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is DAZXMEMXUIKELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(5-7-17(2)8-6-15)11-16-14(21)18(10-13(19)20)9-12-3-4-12/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107164823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).