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

C8H9N3O3 — CID 107339512

IUPAC2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
SMILESNC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H9N3O3/c9-8(14)11-6-2-1-5(10-4-6)3-7(12)13/h1-2,4H,3H2,(H,12,13)(H3,9,11,14)
InChIKeyYVUSZBZZFLALJK-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.20
Rot. Bonds3

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

2-[5-(carbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107339512) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107339512
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
SMILESNC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H9N3O3/c9-8(14)11-6-2-1-5(10-4-6)3-7(12)13/h1-2,4H,3H2,(H,12,13)(H3,9,11,14)
InChIKeyYVUSZBZZFLALJK-UHFFFAOYSA-N
XLogP0.20
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340628
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238

Frequently Asked Questions

What is the IUPAC name of 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid (CID 107339512) is 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid is NC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is YVUSZBZZFLALJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-8(14)11-6-2-1-5(10-4-6)3-7(12)13/h1-2,4H,3H2,(H,12,13)(H3,9,11,14).
What are the key properties of 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 195.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(carbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).