2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid

C12H14N2O3 — CID 107338810

IUPAC2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CC2)cn1
InChIInChI=1S/C12H14N2O3/c15-11(5-8-1-2-8)14-10-4-3-9(13-7-10)6-12(16)17/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,17)
InChIKeyNTOXBVCKERATOU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.45
Rot. Bonds5

About 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338810) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338810
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CC2)cn1
InChIInChI=1S/C12H14N2O3/c15-11(5-8-1-2-8)14-10-4-3-9(13-7-10)6-12(16)17/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,17)
InChIKeyNTOXBVCKERATOU-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338759
2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107339211
N-(6-amino-3-pyridinyl)-2-cyclopropylacetamide
CID 62901685
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341071
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
N-(6-amino-3-pyridinyl)-2-cyclopentylacetamide;hydrochloride
CID 119260450
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid (CID 107338810) is 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CC2CC2)cn1.
What is the InChIKey of 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is NTOXBVCKERATOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(5-8-1-2-8)14-10-4-3-9(13-7-10)6-12(16)17/h3-4,7-8H,1-2,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).