2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid

C12H16N4O4 — CID 107340628

IUPAC2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(C)(NC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O
InChIInChI=1S/C12H16N4O4/c1-12(2,10(13)19)16-11(20)15-8-4-3-7(14-6-8)5-9(17)18/h3-4,6H,5H2,1-2H3,(H2,13,19)(H,17,18)(H2,15,16,20)
InChIKeyKQQYJDKOAQTNAP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.09
Rot. Bonds5

About 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340628) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340628
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(C)(NC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O
InChIInChI=1S/C12H16N4O4/c1-12(2,10(13)19)16-11(20)15-8-4-3-7(14-6-8)5-9(17)18/h3-4,6H,5H2,1-2H3,(H2,13,19)(H,17,18)(H2,15,16,20)
InChIKeyKQQYJDKOAQTNAP-UHFFFAOYSA-N
XLogP0.09
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802
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-[(3-methylphenyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107339523
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-2-methylpropanamide
CID 107338248

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107340628) is 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid is CC(C)(NC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O.
What is the InChIKey of 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is KQQYJDKOAQTNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-12(2,10(13)19)16-11(20)15-8-4-3-7(14-6-8)5-9(17)18/h3-4,6H,5H2,1-2H3,(H2,13,19)(H,17,18)(H2,15,16,20).
What are the key properties of 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).