2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid

C13H25N3O3 — CID 55134965

IUPAC2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCN1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-2-7-16(11-12(17)18)13(19)14-6-10-15-8-4-3-5-9-15/h2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyXUINVDZCNVTQOQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid

2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid (PubChem CID 55134965) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
PubChem CID55134965
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCN1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-2-7-16(11-12(17)18)13(19)14-6-10-15-8-4-3-5-9-15/h2-11H2,1H3,(H,14,19)(H,17,18)
InChIKeyXUINVDZCNVTQOQ-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
CID 62634827
2-[propan-2-yl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 62992655
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
N,N-dipropyl-3-pyrrolidin-1-ylpropanamide
CID 110688187
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2-[3-imidazol-1-ylpropylcarbamoyl(propyl)amino]acetic acid
CID 61184302
2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 63208770
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410

Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid (CID 55134965) is 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is XUINVDZCNVTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-7-16(11-12(17)18)13(19)14-6-10-15-8-4-3-5-9-15/h2-11H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid?
2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 55134965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).