2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid

C11H13N3O3 — CID 79263862

IUPAC2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1ncccc1C(N)=O
InChIInChI=1S/C11H13N3O3/c1-2-6-14(7-9(15)16)11-8(10(12)17)4-3-5-13-11/h2-5H,1,6-7H2,(H2,12,17)(H,15,16)
InChIKeyVQEQJCYFPFFXHE-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.26
Rot. Bonds6

About 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid

2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid (PubChem CID 79263862) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid
PubChem CID79263862
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1ncccc1C(N)=O
InChIInChI=1S/C11H13N3O3/c1-2-6-14(7-9(15)16)11-8(10(12)17)4-3-5-13-11/h2-5H,1,6-7H2,(H2,12,17)(H,15,16)
InChIKeyVQEQJCYFPFFXHE-UHFFFAOYSA-N
XLogP0.26
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamoyl-3-chloro-N-prop-2-enylanilino)acetic acid
CID 79263379
2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
CID 54926120
2-(2-carbamoyl-5-methyl-N-prop-2-enylanilino)acetic acid
CID 79265429
2-[prop-2-enyl(quinazolin-4-yl)amino]acetic acid
CID 79264349
2-[(3-ethoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262210
2-[prop-2-enyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetic acid
CID 79262382
2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
CID 66912543
2-[prop-2-enyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657947
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-prop-2-enylamino]acetic acid
CID 79263378
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-prop-2-enylamino]acetic acid
CID 79264605

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid (CID 79263862) is 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)c1ncccc1C(N)=O.
What is the InChIKey of 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid?
The InChIKey is VQEQJCYFPFFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-6-14(7-9(15)16)11-8(10(12)17)4-3-5-13-11/h2-5H,1,6-7H2,(H2,12,17)(H,15,16).
What are the key properties of 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid?
2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79263862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).