2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid

C14H19N3O3 — CID 107340505

IUPAC2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
SMILESCC(C1CC1)N(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9(10-3-4-10)17(2)14(20)16-12-6-5-11(15-8-12)7-13(18)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGUXVTGWYMWRIDE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.97
Rot. Bonds5

About 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid

2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107340505) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
PubChem CID107340505
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
SMILESCC(C1CC1)N(C)C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9(10-3-4-10)17(2)14(20)16-12-6-5-11(15-8-12)7-13(18)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGUXVTGWYMWRIDE-UHFFFAOYSA-N
XLogP1.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
2-[5-[[methyl(phenyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340396
3-[4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 61202884
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
CID 107339173
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61201200
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid (CID 107340505) is 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid is CC(C1CC1)N(C)C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is GUXVTGWYMWRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-3-4-10)17(2)14(20)16-12-6-5-11(15-8-12)7-13(18)19/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).