3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid

C14H21N3O3 — CID 122019003

IUPAC3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CCc1ccccn1)C(=O)NCCC(=O)O
InChIInChI=1S/C14H21N3O3/c1-2-10-17(14(20)16-9-6-13(18)19)11-7-12-5-3-4-8-15-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKYZAXDDLXHPUPM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds8

About 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid

3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 122019003) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID122019003
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CCc1ccccn1)C(=O)NCCC(=O)O
InChIInChI=1S/C14H21N3O3/c1-2-10-17(14(20)16-9-6-13(18)19)11-7-12-5-3-4-8-15-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyKYZAXDDLXHPUPM-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
4-[[(4-methoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 122022550
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
3-[[2-[2-[methyl(pyridin-2-yl)carbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69429042
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631

Frequently Asked Questions

What is the IUPAC name of 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid (CID 122019003) is 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid is CCCN(CCc1ccccn1)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is KYZAXDDLXHPUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-10-17(14(20)16-9-6-13(18)19)11-7-12-5-3-4-8-15-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid?
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122019003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).