2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid

C13H19N3O3 — CID 107341132

IUPAC2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(C)(N)CCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,14)6-5-11(17)16-10-4-3-9(15-8-10)7-12(18)19/h3-4,8H,5-7,14H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWYWXTFMTTUHNPC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107341132) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107341132
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(C)(N)CCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C13H19N3O3/c1-13(2,14)6-5-11(17)16-10-4-3-9(15-8-10)7-12(18)19/h3-4,8H,5-7,14H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWYWXTFMTTUHNPC-UHFFFAOYSA-N
XLogP1.16
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
CID 107341135
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
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-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid (CID 107341132) is 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid is CC(C)(N)CCC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is WYWXTFMTTUHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,14)6-5-11(17)16-10-4-3-9(15-8-10)7-12(18)19/h3-4,8H,5-7,14H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).