2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid

C14H21N3O3 — CID 107341135

IUPAC2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(CCN)CCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H21N3O3/c1-10(6-7-15)2-5-13(18)17-12-4-3-11(16-9-12)8-14(19)20/h3-4,9-10H,2,5-8,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyXIOUIXKDVFZAFZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds8

About 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107341135) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107341135
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(CCN)CCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H21N3O3/c1-10(6-7-15)2-5-13(18)17-12-4-3-11(16-9-12)8-14(19)20/h3-4,9-10H,2,5-8,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyXIOUIXKDVFZAFZ-UHFFFAOYSA-N
XLogP1.41
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[3-[(6-amino-4-methylhexanoyl)amino]phenyl]acetic acid
CID 65350517
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid (CID 107341135) is 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid is CC(CCN)CCC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is XIOUIXKDVFZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(6-7-15)2-5-13(18)17-12-4-3-11(16-9-12)8-14(19)20/h3-4,9-10H,2,5-8,15H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(6-amino-4-methylhexanoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107341135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).