2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid

C11H15N3O3 — CID 114990339

IUPAC2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCC(NC(C)(C(=O)O)c1ccncc1)C(N)=O
InChIInChI=1S/C11H15N3O3/c1-7(9(12)15)14-11(2,10(16)17)8-3-5-13-6-4-8/h3-7,14H,1-2H3,(H2,12,15)(H,16,17)
InChIKeyIOEULVLFTWIAOC-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid

2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid (PubChem CID 114990339) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
PubChem CID114990339
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
SMILESCC(NC(C)(C(=O)O)c1ccncc1)C(N)=O
InChIInChI=1S/C11H15N3O3/c1-7(9(12)15)14-11(2,10(16)17)8-3-5-13-6-4-8/h3-7,14H,1-2H3,(H2,12,15)(H,16,17)
InChIKeyIOEULVLFTWIAOC-UHFFFAOYSA-N
XLogP-0.16
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
2-(cyclopropylamino)-2-pyridin-4-ylpropanamide
CID 60795921
1,3-bis(2-pyridin-4-ylpropan-2-yl)urea
CID 4120557
(2S)-2-(tert-butylamino)propanamide
CID 122595245

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid (CID 114990339) is 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid is CC(NC(C)(C(=O)O)c1ccncc1)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid?
The InChIKey is IOEULVLFTWIAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(9(12)15)14-11(2,10(16)17)8-3-5-13-6-4-8/h3-7,14H,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid?
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid has a molecular weight of 237.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 114990339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).