2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid

C13H17N3O3 — CID 107340629

IUPAC2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1(C)CC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c1-13(2)6-10(13)16-12(19)15-9-4-3-8(14-7-9)5-11(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRTMXPGRTVGDQET-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.63
Rot. Bonds4

About 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340629) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340629
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1(C)CC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c1-13(2)6-10(13)16-12(19)15-9-4-3-8(14-7-9)5-11(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRTMXPGRTVGDQET-UHFFFAOYSA-N
XLogP1.63
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340758
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107339523
2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340628
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107340629) is 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid is CC1(C)CC1NC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is RTMXPGRTVGDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2)6-10(13)16-12(19)15-9-4-3-8(14-7-9)5-11(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).