2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid

C13H18N4O4 — CID 106279156

IUPAC2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(C)(CNC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O
InChIInChI=1S/C13H18N4O4/c1-13(2,11(14)20)7-16-12(21)17-9-4-3-8(15-6-9)5-10(18)19/h3-4,6H,5,7H2,1-2H3,(H2,14,20)(H,18,19)(H2,16,17,21)
InChIKeyKHTSDHVMRWQZIE-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.34
Rot. Bonds6

About 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 106279156) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID106279156
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC(C)(CNC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O
InChIInChI=1S/C13H18N4O4/c1-13(2,11(14)20)7-16-12(21)17-9-4-3-8(15-6-9)5-10(18)19/h3-4,6H,5,7H2,1-2H3,(H2,14,20)(H,18,19)(H2,16,17,21)
InChIKeyKHTSDHVMRWQZIE-UHFFFAOYSA-N
XLogP0.34
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340628
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802
2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
CID 106295042
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340578

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 106279156) is 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid is CC(C)(CNC(=O)Nc1ccc(CC(=O)O)nc1)C(N)=O.
What is the InChIKey of 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is KHTSDHVMRWQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-13(2,11(14)20)7-16-12(21)17-9-4-3-8(15-6-9)5-10(18)19/h3-4,6H,5,7H2,1-2H3,(H2,14,20)(H,18,19)(H2,16,17,21).
What are the key properties of 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 106279156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).