2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid

C11H15N3O3 — CID 61007224

IUPAC2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c1-2-5-14(7-10(15)16)8-3-4-13-9(6-8)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,15,16)
InChIKeyLSZITFTYNFZKNJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.48
Rot. Bonds6

About 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid

2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid (PubChem CID 61007224) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
PubChem CID61007224
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c1-2-5-14(7-10(15)16)8-3-4-13-9(6-8)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,15,16)
InChIKeyLSZITFTYNFZKNJ-UHFFFAOYSA-N
XLogP0.48
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
4-[azetidin-3-yl(propyl)amino]pyridine-2-carboxamide
CID 66214733
3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 54925465
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid (CID 61007224) is 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid is CCCN(CC(=O)O)c1ccnc(C(N)=O)c1.
What is the InChIKey of 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid?
The InChIKey is LSZITFTYNFZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-5-14(7-10(15)16)8-3-4-13-9(6-8)11(12)17/h3-4,6H,2,5,7H2,1H3,(H2,12,17)(H,15,16).
What are the key properties of 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid?
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid is sourced from PubChem (CID 61007224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).