2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid

C8H8ClN3O3 — CID 103094708

IUPAC2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-10-7(5)12-8(15)11-4-6(13)14/h1-3H,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyRQUGKJAFEHXTEC-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.94
Rot. Bonds3

About 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid

2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid (PubChem CID 103094708) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
PubChem CID103094708
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ncccc1Cl
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-10-7(5)12-8(15)11-4-6(13)14/h1-3H,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyRQUGKJAFEHXTEC-UHFFFAOYSA-N
XLogP0.94
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
CID 28880664
2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 103094005
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid (CID 103094708) is 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid?
The InChIKey is RQUGKJAFEHXTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c9-5-2-1-3-10-7(5)12-8(15)11-4-6(13)14/h1-3H,4H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid?
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid has a molecular weight of 229.62 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid is sourced from PubChem (CID 103094708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).